16188839
  -OEChem-05142413012D

 75 77  0     0  0  0  0  0  0999 V2000
   10.6563   -0.2412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0679    2.2688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7903   -0.7687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0583   -0.7687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5281    1.2554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1961    0.7721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.5224   -1.7688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6563   -2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5224   -0.7687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7903   -1.7688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6563   -0.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3884   -2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9243   -0.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9243    0.7313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0583    1.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1922   -0.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1922    0.7313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0583    2.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2983    1.2659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2983   -0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3922    0.7521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6000    1.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3922   -0.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3320    1.2754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680    1.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7282   -0.2145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7961    1.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6602    0.7587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8602   -0.7112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0641    1.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5224   -2.3888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2578   -2.7437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0549   -2.7437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1329   -0.8764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.7344   -0.1861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1797   -1.6611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5783   -2.3514    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0549    0.2062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2578    0.2062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0784   -2.8057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.9253   -2.5788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6984   -1.7318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4612    1.0412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6783    2.2312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0583    2.8512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4383    2.2312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3055    1.8859    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3055   -1.4234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0003    1.7555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2033    1.7586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0637    0.3054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8608    0.3023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8565   -0.6016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7324    1.7488    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9353    1.7519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2683    1.7622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4712    1.7653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9380   -0.7980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3392   -0.1092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5305    1.8754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1937    0.1521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1965    1.7355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3994    1.7386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5278    0.2920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3248    0.2889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921    1.3302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619    0.4842    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079    0.2540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5523   -0.1731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3221   -1.0191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1682   -1.2493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 31  2  0  0  0  0
  2 34  2  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 14  1  0  0  0  0
  4 14  2  0  0  0  0
  4 17  1  0  0  0  0
  5 23  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6 22  1  0  0  0  0
  6 31  1  0  0  0  0
  6 64  1  0  0  0  0
  7 26  1  0  0  0  0
  7 34  1  0  0  0  0
  7 65  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 35  1  0  0  0  0
  9 11  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 12  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 12 42  1  0  0  0  0
 12 43  1  0  0  0  0
 13 44  1  0  0  0  0
 13 45  1  0  0  0  0
 13 46  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 47  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 17 21  1  0  0  0  0
 18 20  1  0  0  0  0
 19 48  1  0  0  0  0
 19 49  1  0  0  0  0
 19 50  1  0  0  0  0
 20 22  2  0  0  0  0
 20 51  1  0  0  0  0
 21 24  2  0  0  0  0
 21 52  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 53  1  0  0  0  0
 23 54  1  0  0  0  0
 24 57  1  0  0  0  0
 25 26  1  0  0  0  0
 25 55  1  0  0  0  0
 25 56  1  0  0  0  0
 26 58  1  0  0  0  0
 26 59  1  0  0  0  0
 27 32  1  0  0  0  0
 27 60  1  0  0  0  0
 27 61  1  0  0  0  0
 28 33  1  0  0  0  0
 28 62  1  0  0  0  0
 28 63  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 66  1  0  0  0  0
 29 67  1  0  0  0  0
 30 34  1  0  0  0  0
 30 68  1  0  0  0  0
 30 69  1  0  0  0  0
 32 70  1  0  0  0  0
 32 71  1  0  0  0  0
 32 72  1  0  0  0  0
 33 73  1  0  0  0  0
 33 74  1  0  0  0  0
 33 75  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
16188839

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
633

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
11

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8WIAAAAAAAACx8AAAHgAQAAAADQjBngQz8PPIEACoAydydACCgCkhAiAJmKE4ZJiIIPLA2ZGEIAholgLIyCcVgMAOgACAQAACAAAAAQCAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[3-(diethylamino)propyl]-N'-[4-methyl-2-(4-methyl-1-piperidyl)-6-quinolyl]butanediamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[3-(diethylamino)propyl]-N'-[4-methyl-2-(4-methyl-1-piperidinyl)-6-quinolinyl]butanediamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[3-(diethylamino)propyl]-<I>N</I>&apos;-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]butanediamide

> <PUBCHEM_IUPAC_NAME>
N-[3-(diethylamino)propyl]-N'-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]butanediamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[3-(diethylamino)propyl]-N'-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]butanediamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[3-(diethylamino)propyl]-N'-[4-methyl-2-(4-methylpiperidino)-6-quinolyl]succinamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C27H41N5O2/c1-5-31(6-2)15-7-14-28-26(33)10-11-27(34)29-22-8-9-24-23(19-22)21(4)18-25(30-24)32-16-12-20(3)13-17-32/h8-9,18-20H,5-7,10-17H2,1-4H3,(H,28,33)(H,29,34)

> <PUBCHEM_IUPAC_INCHIKEY>
PSHIFYCLUQGQFV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.8

> <PUBCHEM_EXACT_MASS>
467.32602557

> <PUBCHEM_MOLECULAR_FORMULA>
C27H41N5O2

> <PUBCHEM_MOLECULAR_WEIGHT>
467.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCN(CC)CCCNC(=O)CCC(=O)NC1=CC2=C(C=C1)N=C(C=C2C)N3CCC(CC3)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCN(CC)CCCNC(=O)CCC(=O)NC1=CC2=C(C=C1)N=C(C=C2C)N3CCC(CC3)C

> <PUBCHEM_CACTVS_TPSA>
77.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
467.32602557

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
34

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
14  15  8
15  16  8
16  18  8
17  18  8
17  21  8
18  20  8
20  22  8
21  24  8
22  24  8
4  14  8
4  17  8

$$$$