
 CHEMBL1396103

 38 40  0  0  0  0  0  0  0  0999 V2000
    1.3121   -0.5928   -0.5933 C   0  0  0  0  0
    2.7707   -0.2455   -0.5287 C   0  0  0  0  0
    3.1969    1.0860   -0.6642 C   0  0  0  0  0
    4.5535    1.4162   -0.6049 C   0  0  0  0  0
    5.4896    0.3906   -0.4219 C   0  0  0  0  0
    5.0769   -0.9377   -0.2967 C   0  0  0  0  0
    3.7217   -1.2547   -0.3495 C   0  0  0  0  0
    5.0546    2.7329   -0.7141 N   0  0  0  0  0
    4.3234    3.8976   -0.8649 C   0  0  0  0  0
    3.1027    3.9965   -0.9155 O   0  0  0  0  0
    5.1217    5.1582   -0.9283 C   0  0  0  0  0
    6.4152    5.2059   -1.4558 C   0  0  0  0  0
    7.1014    6.4269   -1.4788 C   0  0  0  0  0
    6.5115    7.6100   -1.0050 C   0  0  0  0  0
    5.2169    7.5541   -0.4886 C   0  0  0  0  0
    4.5256    6.3385   -0.4559 C   0  0  0  0  0
    7.2277    8.8122   -1.0330 N   0  0  0  0  0
    8.4976    8.8960   -1.5638 C   0  0  0  0  0
    9.1462    7.8211   -2.0434 C   0  0  0  0  0
    8.4818    6.4952   -2.0144 C   0  0  0  0  0
    9.0630    5.4943   -2.4165 O   0  0  0  0  0
    9.1370   10.2569   -1.5853 C   0  0  0  0  0
    0.6851    0.3045   -0.6177 H   0  0  0  0  0
    1.0224   -1.1742    0.2882 H   0  0  0  0  0
    1.1045   -1.1776   -1.4948 H   0  0  0  0  0
    2.4424    1.8524   -0.8118 H   0  0  0  0  0
    6.5534    0.6080   -0.3759 H   0  0  0  0  0
    5.8130   -1.7251   -0.1574 H   0  0  0  0  0
    3.4090   -2.2917   -0.2505 H   0  0  0  0  0
    6.0567    2.8181   -0.6113 H   0  0  0  0  0
    6.8931    4.3250   -1.8754 H   0  0  0  0  0
    4.7312    8.4494   -0.1101 H   0  0  0  0  0
    3.5125    6.3123   -0.0559 H   0  0  0  0  0
    6.7638    9.6674   -0.7486 H   0  0  0  0  0
   10.1438    7.8568   -2.4610 H   0  0  0  0  0
   10.1464   10.2331   -2.0089 H   0  0  0  0  0
    9.2100   10.6585   -0.5689 H   0  0  0  0  0
    8.5374   10.9477   -2.1876 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  6  7  2  0  0  0
  6 28  1  0  0  0
  7 29  1  0  0  0
  8  9  1  0  0  0
  8 30  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 16  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 31  1  0  0  0
 13 14  2  0  0  0
 13 20  1  0  0  0
 14 17  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 32  1  0  0  0
 16 33  1  0  0  0
 17 18  1  0  0  0
 17 34  1  0  0  0
 18 19  2  0  0  0
 18 22  1  0  0  0
 19 20  1  0  0  0
 19 35  1  0  0  0
 20 21  2  0  0  0
 22 36  1  0  0  0
 22 37  1  0  0  0
 22 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1396103

>  <PubChem CID>
16016520

>  <Formula>
C18H16N2O2

>  <Molecular Weight>
292.338000

>  <IUPAC Name>
2-methyl-N-(3-methylphenyl)-4-oxo-1H-quinoline-6-carboxamide

>  <XlogP>
3.100

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)NC(=CC3=O)C

>  <Isomeric SMILES>
CC1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)NC(=CC3=O)C

>  <InChI Std. ID>
InChI=1S/C18H16N2O2/c1-11-4-3-5-14(8-11)20-18(22)13-6-7-16-15(10-13)17(21)9-12(2)19-16/h3-10H,1-2H3,(H,19,21)(H,20,22)

>  <InChI Key>
ANUUNCRCHWVWOD-UHFFFAOYSA-N

