
 CHEMBL3228800

 38 39  0  0  0  0  0  0  0  0999 V2000
    0.6367    0.0431   -0.0604 C   0  0  0  0  0
    2.1383   -0.0064   -0.0158 C   0  0  0  0  0
    2.8547    1.1944   -0.0123 C   0  0  0  0  0
    4.2372    1.1502    0.0052 C   0  0  0  0  0
    4.9477    0.0093    0.0505 N   0  0  0  0  0
    4.2630   -1.1564    0.0634 C   0  0  0  0  0
    2.8590   -1.2151    0.0146 C   0  0  0  0  0
    2.2017   -2.5224   -0.0073 C   0  0  0  0  0
    2.9319   -3.6408    0.0016 C   0  0  0  0  0
    4.4103   -3.6060    0.0483 C   0  0  0  0  0
    5.0213   -4.6738    0.0197 O   0  0  0  0  0
    5.0083   -2.3633    0.1227 N   0  0  0  0  0
    6.4680   -2.2852    0.1974 C   0  0  0  0  0
    7.1200   -2.2437   -1.1990 C   0  0  0  0  0
    8.5974   -2.1563   -1.1833 N   0  0  0  0  0
    9.2047   -3.3680   -0.6257 C   0  0  0  0  0
    9.0923   -1.9432   -2.5465 C   0  0  0  0  0
    4.8892    2.3666   -0.0129 O   0  0  0  0  0
    6.2873    2.2405   -0.2578 C   0  0  0  0  0
    0.2680    1.0746   -0.0605 H   0  0  0  0  0
    0.2117   -0.4550    0.8168 H   0  0  0  0  0
    0.2673   -0.4370   -0.9723 H   0  0  0  0  0
    2.3521    2.1560   -0.0359 H   0  0  0  0  0
    1.1206   -2.5830   -0.0407 H   0  0  0  0  0
    2.4800   -4.6253   -0.0239 H   0  0  0  0  0
    6.8159   -3.1692    0.7442 H   0  0  0  0  0
    6.7728   -1.4216    0.8003 H   0  0  0  0  0
    6.7258   -1.3608   -1.7195 H   0  0  0  0  0
    6.7949   -3.1145   -1.7841 H   0  0  0  0  0
    8.9686   -3.4750    0.4375 H   0  0  0  0  0
   10.2980   -3.3127   -0.6840 H   0  0  0  0  0
    8.8798   -4.2737   -1.1503 H   0  0  0  0  0
    8.6901   -1.0125   -2.9620 H   0  0  0  0  0
    8.8235   -2.7670   -3.2179 H   0  0  0  0  0
   10.1831   -1.8384   -2.5486 H   0  0  0  0  0
    6.7109    3.2487   -0.2901 H   0  0  0  0  0
    6.4744    1.7691   -1.2292 H   0  0  0  0  0
    6.7889    1.6943    0.5479 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 23  1  0  0  0
  4  5  2  0  0  0
  4 18  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 12  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 24  1  0  0  0
  9 10  1  0  0  0
  9 25  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 26  1  0  0  0
 13 27  1  0  0  0
 14 15  1  0  0  0
 14 28  1  0  0  0
 14 29  1  0  0  0
 15 17  1  0  0  0
 15 16  1  0  0  0
 16 30  1  0  0  0
 16 31  1  0  0  0
 16 32  1  0  0  0
 17 33  1  0  0  0
 17 34  1  0  0  0
 17 35  1  0  0  0
 18 19  1  0  0  0
 19 36  1  0  0  0
 19 37  1  0  0  0
 19 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3228800

>  <PubChem CID>
90654324

>  <Formula>
C14H19N3O2

>  <Molecular Weight>
261.325000

>  <IUPAC Name>
1-[2-(dimethylamino)ethyl]-7-methoxy-5-methyl-1,8-naphthyridin-2-one

>  <XlogP>
1.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC(=NC2=C1C=CC(=O)N2CCN(C)C)OC

>  <Isomeric SMILES>
CC1=CC(=NC2=C1C=CC(=O)N2CCN(C)C)OC

>  <InChI Std. ID>
InChI=1S/C14H19N3O2/c1-10-9-12(19-4)15-14-11(10)5-6-13(18)17(14)8-7-16(2)3/h5-6,9H,7-8H2,1-4H3

>  <InChI Key>
BQUBZZUYARDRHO-UHFFFAOYSA-N

