59192163
  -OEChem-05102412462D

 48 51  0     0  0  0  0  0  0999 V2000
    5.4641   -1.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.0173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1523   -1.5173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1523    0.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0583    0.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0583   -1.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267    0.9923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297    0.9923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.6027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    1.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9893   -1.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -2.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    0.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1451    1.1720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5941    0.3502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5941   -1.3156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.0543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.0196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 20  1  0  0  0  0
  2 11  2  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  3 31  1  0  0  0  0
  4 10  1  0  0  0  0
  4 27  2  0  0  0  0
  5  6  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 19  1  0  0  0  0
  9 32  1  0  0  0  0
 10 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 33  1  0  0  0  0
 13 18  2  0  0  0  0
 13 34  1  0  0  0  0
 14 16  2  0  0  0  0
 14 35  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 22  2  0  0  0  0
 19 39  1  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  2  0  0  0  0
 21 26  1  0  0  0  0
 21 28  1  0  0  0  0
 22 27  1  0  0  0  0
 22 40  1  0  0  0  0
 23 25  1  0  0  0  0
 23 41  1  0  0  0  0
 24 26  2  0  0  0  0
 24 42  1  0  0  0  0
 25 43  1  0  0  0  0
 26 44  1  0  0  0  0
 27 45  1  0  0  0  0
 28 46  1  0  0  0  0
 28 47  1  0  0  0  0
 28 48  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
59192163

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
495

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAACx9AAAHgAQAAAADAzBngQ+xvLIFACoAzV3VACCiCA1IiAI2KE+bNgMJvLEtZuGOSjkxhHI6YeY2cKeKAACAAACAABQAAQAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[[4-(4-methylphenoxy)phenyl]methyl]quinoline-6-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[[4-(4-methylphenoxy)phenyl]methyl]-6-quinolinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[[4-(4-methylphenoxy)phenyl]methyl]quinoline-6-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[[4-(4-methylphenoxy)phenyl]methyl]quinoline-6-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[[4-(4-methylphenoxy)phenyl]methyl]quinoline-6-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[4-(4-methylphenoxy)benzyl]quinoline-6-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H20N2O2/c1-17-4-9-21(10-5-17)28-22-11-6-18(7-12-22)16-26-24(27)20-8-13-23-19(15-20)3-2-14-25-23/h2-15H,16H2,1H3,(H,26,27)

> <PUBCHEM_IUPAC_INCHIKEY>
SGNHZBUPSORNCJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
4.5

> <PUBCHEM_EXACT_MASS>
368.152477885

> <PUBCHEM_MOLECULAR_FORMULA>
C24H20N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
368.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC=C(C=C1)OC2=CC=C(C=C2)CNC(=O)C3=CC4=C(C=C3)N=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC=C(C=C1)OC2=CC=C(C=C2)CNC(=O)C3=CC4=C(C=C3)N=CC=C4

> <PUBCHEM_CACTVS_TPSA>
51.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
368.152477885

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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>
10  16  8
12  17  8
13  18  8
14  16  8
15  17  8
15  18  8
19  22  8
20  23  8
20  24  8
21  25  8
21  26  8
22  27  8
23  25  8
24  26  8
4  10  8
4  27  8
6  12  8
6  13  8
7  14  8
7  9  8
8  10  8
8  19  8
8  9  8

$$$$