56275294
  -OEChem-05092401282D

 54 57  0     0  0  0  0  0  0999 V2000
    9.8622   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.7153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -2.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6067    1.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2082    2.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7316   -0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5287   -0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5287    2.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7316    2.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6535    0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0521    0.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2651    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291    1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    4.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -0.0954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -3.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0460   -3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -4.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2860   -3.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.9171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -2.5829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2 20  2  0  0  0  0
  3 25  2  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 41  1  0  0  0  0
  5 42  1  0  0  0  0
  6 15  1  0  0  0  0
  6 20  1  0  0  0  0
  6 44  1  0  0  0  0
  7 23  1  0  0  0  0
  7 25  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  8 31  1  0  0  0  0
  9 11  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 12  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 40  1  0  0  0  0
 17 19  1  0  0  0  0
 17 43  1  0  0  0  0
 18 19  2  0  0  0  0
 18 45  1  0  0  0  0
 19 46  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  2  0  0  0  0
 22 23  1  0  0  0  0
 22 26  2  0  0  0  0
 23 27  2  0  0  0  0
 24 25  1  0  0  0  0
 24 47  1  0  0  0  0
 26 29  1  0  0  0  0
 26 48  1  0  0  0  0
 27 30  1  0  0  0  0
 27 49  1  0  0  0  0
 28 50  1  0  0  0  0
 28 51  1  0  0  0  0
 28 52  1  0  0  0  0
 29 30  2  0  0  0  0
 29 53  1  0  0  0  0
 30 54  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56275294

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
713

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8YIEAAAAAAACBQAAAHgAQAAAADQjBmAQywIPAAACIAiVSUACCAAAhAgAIiAEIdMgIYDLAlZGUIAhglgDIyYcciICOAAAAAAACACAAAAAAAAQAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[2-(4-carbamoyl-1-piperidyl)phenyl]-1-methyl-2-oxo-quinoline-4-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[2-(4-carbamoyl-1-piperidinyl)phenyl]-1-methyl-2-oxo-4-quinolinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[2-(4-carbamoylpiperidin-1-yl)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[2-(4-carbamoylpiperidin-1-yl)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[2-(4-aminocarbonylpiperidin-1-yl)phenyl]-1-methyl-2-oxidanylidene-quinoline-4-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[2-(4-carbamoylpiperidino)phenyl]-2-keto-1-methyl-cinchoninamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H24N4O3/c1-26-19-8-4-2-6-16(19)17(14-21(26)28)23(30)25-18-7-3-5-9-20(18)27-12-10-15(11-13-27)22(24)29/h2-9,14-15H,10-13H2,1H3,(H2,24,29)(H,25,30)

> <PUBCHEM_IUPAC_INCHIKEY>
HJZLSEDGIZACGP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.6

> <PUBCHEM_EXACT_MASS>
404.18484064

> <PUBCHEM_MOLECULAR_FORMULA>
C23H24N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
404.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C2=CC=CC=C2C(=CC1=O)C(=O)NC3=CC=CC=C3N4CCC(CC4)C(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C2=CC=CC=C2C(=CC1=O)C(=O)NC3=CC=CC=C3N4CCC(CC4)C(=O)N

> <PUBCHEM_CACTVS_TPSA>
95.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
404.18484064

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <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>
13  15  8
13  16  8
15  17  8
16  18  8
17  19  8
18  19  8
21  22  8
21  24  8
22  23  8
22  26  8
23  27  8
24  25  8
26  29  8
27  30  8
29  30  8
7  23  8
7  25  8

$$$$