
 CHEMBL3228798

 37 38  0  0  0  0  0  0  0  0999 V2000
    1.9635   -3.2978   -0.3328 C   0  0  0  0  0
    3.3868   -2.8294   -0.2842 C   0  0  0  0  0
    3.5990   -1.5095   -0.1091 N   0  0  0  0  0
    4.8732   -1.0516   -0.0529 C   0  0  0  0  0
    5.9854   -1.8993   -0.1611 C   0  0  0  0  0
    7.3277   -1.3180   -0.0881 C   0  0  0  0  0
    7.4812   -0.0069    0.1152 C   0  0  0  0  0
    6.3233    0.9028    0.2655 C   0  0  0  0  0
    6.5423    2.0897    0.4925 O   0  0  0  0  0
    5.0689    0.3423    0.1324 N   0  0  0  0  0
    3.8877    1.1996    0.2608 C   0  0  0  0  0
    3.3337    1.2168    1.7004 C   0  0  0  0  0
    2.1723    2.1119    1.8991 N   0  0  0  0  0
    1.0001    1.6543    1.1503 C   0  0  0  0  0
    1.8471    2.1918    3.3258 C   0  0  0  0  0
    5.7544   -3.2762   -0.3348 C   0  0  0  0  0
    4.4296   -3.7356   -0.3943 C   0  0  0  0  0
    6.8795   -4.2684   -0.4643 C   0  0  0  0  0
    6.4549   -5.5590   -0.5722 F   0  0  0  0  0
    7.6518   -4.0436   -1.5623 F   0  0  0  0  0
    7.7251   -4.2509    0.6024 F   0  0  0  0  0
    1.7291   -3.8790    0.5639 H   0  0  0  0  0
    1.7961   -3.9187   -1.2183 H   0  0  0  0  0
    1.2762   -2.4473   -0.3818 H   0  0  0  0  0
    8.2061   -1.9450   -0.1953 H   0  0  0  0  0
    8.4590    0.4564    0.1806 H   0  0  0  0  0
    3.1355    0.8755   -0.4663 H   0  0  0  0  0
    4.1606    2.2231   -0.0254 H   0  0  0  0  0
    4.1489    1.5518    2.3564 H   0  0  0  0  0
    3.0844    0.1967    2.0208 H   0  0  0  0  0
    1.1693    1.7218    0.0714 H   0  0  0  0  0
    0.1363    2.2964    1.3577 H   0  0  0  0  0
    0.7267    0.6225    1.3983 H   0  0  0  0  0
    2.6989    2.5787    3.8959 H   0  0  0  0  0
    1.5668    1.2169    3.7410 H   0  0  0  0  0
    1.0185    2.8890    3.4933 H   0  0  0  0  0
    4.2134   -4.7938   -0.5280 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 17  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4 10  1  0  0  0
  5 16  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 25  1  0  0  0
  7  8  1  0  0  0
  7 26  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 27  1  0  0  0
 11 28  1  0  0  0
 12 13  1  0  0  0
 12 29  1  0  0  0
 12 30  1  0  0  0
 13 15  1  0  0  0
 13 14  1  0  0  0
 14 31  1  0  0  0
 14 32  1  0  0  0
 14 33  1  0  0  0
 15 34  1  0  0  0
 15 35  1  0  0  0
 15 36  1  0  0  0
 16 17  2  0  0  0
 16 18  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>
CHEMBL3228798

>  <PubChem CID>
90668674

>  <Formula>
C14H16F3N3O

>  <Molecular Weight>
299.297000

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

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=NC2=C(C=CC(=O)N2CCN(C)C)C(=C1)C(F)(F)F

>  <Isomeric SMILES>
CC1=NC2=C(C=CC(=O)N2CCN(C)C)C(=C1)C(F)(F)F

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

>  <InChI Key>
LCMUPXZPWZOBPE-UHFFFAOYSA-N

