
 CHEMBL3228799

 37 38  0  0  0  0  0  0  0  0999 V2000
   -0.7121   -0.4052   -0.2287 C   0  0  0  0  0
    0.7212   -0.0716    0.0839 C   0  0  0  0  0
    1.1096    1.2745    0.1209 C   0  0  0  0  0
    2.4316    1.6086    0.4079 C   0  0  0  0  0
    3.3652    0.6524    0.6613 N   0  0  0  0  0
    2.9988   -0.6504    0.6321 C   0  0  0  0  0
    1.6879   -1.0590    0.3447 C   0  0  0  0  0
    1.3774   -2.4894    0.3245 C   0  0  0  0  0
    2.3418   -3.3880    0.5393 C   0  0  0  0  0
    3.7394   -2.9820    0.8108 C   0  0  0  0  0
    4.5864   -3.8618    0.9483 O   0  0  0  0  0
    3.9939   -1.6270    0.8937 N   0  0  0  0  0
    5.3612   -1.1811    1.1721 C   0  0  0  0  0
    6.1864   -1.0031   -0.1182 C   0  0  0  0  0
    7.5654   -0.5170    0.1041 N   0  0  0  0  0
    8.3884   -1.5155    0.7908 C   0  0  0  0  0
    8.1812   -0.1688   -1.1793 C   0  0  0  0  0
    2.8583    3.0712    0.4425 C   0  0  0  0  0
    3.3181    3.4655    1.6637 F   0  0  0  0  0
    3.8477    3.3608   -0.4497 F   0  0  0  0  0
    1.8400    3.9340    0.1441 F   0  0  0  0  0
   -1.2988    0.4956   -0.4384 H   0  0  0  0  0
   -1.1786   -0.9108    0.6229 H   0  0  0  0  0
   -0.7713   -1.0445   -1.1153 H   0  0  0  0  0
    0.3832    2.0607   -0.0757 H   0  0  0  0  0
    0.3643   -2.8205    0.1303 H   0  0  0  0  0
    2.1512   -4.4547    0.5239 H   0  0  0  0  0
    5.8310   -1.9362    1.8124 H   0  0  0  0  0
    5.3449   -0.2563    1.7608 H   0  0  0  0  0
    5.6581   -0.2751   -0.7481 H   0  0  0  0  0
    6.1979   -1.9443   -0.6843 H   0  0  0  0  0
    8.0256   -1.6959    1.8072 H   0  0  0  0  0
    9.4179   -1.1553    0.9001 H   0  0  0  0  0
    8.4155   -2.4703    0.2537 H   0  0  0  0  0
    7.6079    0.6183   -1.6817 H   0  0  0  0  0
    8.2495   -1.0309   -1.8527 H   0  0  0  0  0
    9.1899    0.2313   -1.0270 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 25  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 26  1  0  0  0
  9 10  1  0  0  0
  9 27  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 28  1  0  0  0
 13 29  1  0  0  0
 14 15  1  0  0  0
 14 30  1  0  0  0
 14 31  1  0  0  0
 15 17  1  0  0  0
 15 16  1  0  0  0
 16 32  1  0  0  0
 16 33  1  0  0  0
 16 34  1  0  0  0
 17 35  1  0  0  0
 17 36  1  0  0  0
 17 37  1  0  0  0
 18 21  1  0  0  0
 18 20  1  0  0  0
 18 19  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3228799

>  <PubChem CID>
90654320

>  <Formula>
C14H16F3N3O

>  <Molecular Weight>
299.297000

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

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

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

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

>  <InChI Std. ID>
InChI=1S/C14H16F3N3O/c1-9-8-11(14(15,16)17)18-13-10(9)4-5-12(21)20(13)7-6-19(2)3/h4-5,8H,6-7H2,1-3H3

>  <InChI Key>
IERBSDCQNFNTNI-UHFFFAOYSA-N

