
 CHEMBL102429

 35 37  0  0  0  0  0  0  0  0999 V2000
    2.1078   -0.2003    0.6089 C   0  0  0  0  0
    1.4875    1.0508    0.1723 N   0  0  0  0  0
    0.6057    0.9132   -0.9865 C   0  0  0  0  0
    2.3983    2.1222    0.0791 C   0  0  0  0  0
    3.7188    1.8969    0.2902 N   0  0  0  0  0
    4.5824    2.9338    0.2190 C   0  0  0  0  0
    4.1686    4.2331   -0.0592 C   0  0  0  0  0
    2.8198    4.4830   -0.2615 C   0  0  0  0  0
    1.9292    3.4149   -0.1835 C   0  0  0  0  0
    5.1790    5.3112   -0.1191 C   0  0  0  0  0
    4.8664    6.4702   -0.3684 O   0  0  0  0  0
    6.5955    4.9501    0.1319 C   0  0  0  0  0
    6.8839    3.6662    0.3922 C   0  0  0  0  0
    5.9370    2.6786    0.4345 N   0  0  0  0  0
    8.2775    3.2804    0.6445 C   0  0  0  0  0
    9.0996    2.8749   -0.4141 C   0  0  0  0  0
   10.4305    2.5264   -0.1766 C   0  0  0  0  0
   10.9456    2.5802    1.1182 C   0  0  0  0  0
   10.1316    2.9797    2.1777 C   0  0  0  0  0
    8.8004    3.3290    1.9428 C   0  0  0  0  0
    2.6248   -0.0778    1.5679 H   0  0  0  0  0
    2.8107   -0.5870   -0.1385 H   0  0  0  0  0
    1.3368   -0.9630    0.7678 H   0  0  0  0  0
   -0.0409    0.0360   -0.8676 H   0  0  0  0  0
    1.1797    0.7838   -1.9114 H   0  0  0  0  0
   -0.0644    1.7715   -1.0980 H   0  0  0  0  0
    2.4632    5.4889   -0.4633 H   0  0  0  0  0
    0.8680    3.6067   -0.3001 H   0  0  0  0  0
    7.3287    5.7448    0.0917 H   0  0  0  0  0
    6.1901    1.7229    0.6433 H   0  0  0  0  0
    8.7085    2.8322   -1.4282 H   0  0  0  0  0
   11.0662    2.2159   -1.0020 H   0  0  0  0  0
   11.9831    2.3117    1.3017 H   0  0  0  0  0
   10.5342    3.0219    3.1866 H   0  0  0  0  0
    8.1746    3.6412    2.7760 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 14  1  0  0  0
  7 10  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 27  1  0  0  0
  9 28  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  2  0  0  0
 12 29  1  0  0  0
 13 14  1  0  0  0
 13 15  1  0  0  0
 14 30  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 31  1  0  0  0
 17 18  2  0  0  0
 17 32  1  0  0  0
 18 19  1  0  0  0
 18 33  1  0  0  0
 19 20  2  0  0  0
 19 34  1  0  0  0
 20 35  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL102429

>  <PubChem CID>
10378184

>  <Formula>
C16H15N3O

>  <Molecular Weight>
265.316000

>  <IUPAC Name>
7-(dimethylamino)-2-phenyl-1H-1,8-naphthyridin-4-one

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(C)C1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC=CC=C3

>  <Isomeric SMILES>
CN(C)C1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C16H15N3O/c1-19(2)15-9-8-12-14(20)10-13(17-16(12)18-15)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,17,18,20)

>  <InChI Key>
BEMRWFAUJDRLIY-UHFFFAOYSA-N

