
 CHEMBL3228801

 34 35  0  0  0  0  0  0  0  0999 V2000
    0.6794    0.1636   -0.1207 C   0  0  0  0  0
    2.1780    0.0932   -0.0181 C   0  0  0  0  0
    2.9083    1.2834    0.0563 C   0  0  0  0  0
    4.2846    1.2069    0.1545 C   0  0  0  0  0
    4.9854    0.0605    0.1823 N   0  0  0  0  0
    4.2851   -1.0944    0.1027 C   0  0  0  0  0
    2.8816   -1.1271    0.0077 C   0  0  0  0  0
    2.2044   -2.4227   -0.0583 C   0  0  0  0  0
    2.9133   -3.5533   -0.0094 C   0  0  0  0  0
    4.3888   -3.5478    0.1068 C   0  0  0  0  0
    4.9688   -4.6274    0.1833 O   0  0  0  0  0
    5.0113   -2.3150    0.1211 N   0  0  0  0  0
    6.4712   -2.2577    0.2406 C   0  0  0  0  0
    6.9280   -2.1830    1.7116 C   0  0  0  0  0
    8.3951   -2.1807    1.8950 N   0  0  0  0  0
    9.0016   -0.9499    1.3818 C   0  0  0  0  0
    8.7180   -2.3345    3.3160 C   0  0  0  0  0
    5.2400    2.6265    0.2546 Cl  0  0  0  0  0
    0.3251    1.2000   -0.1323 H   0  0  0  0  0
    0.2152   -0.3313    0.7386 H   0  0  0  0  0
    0.3379   -0.3087   -1.0471 H   0  0  0  0  0
    2.4165    2.2507    0.0395 H   0  0  0  0  0
    1.1248   -2.4664   -0.1426 H   0  0  0  0  0
    2.4451   -4.5304   -0.0497 H   0  0  0  0  0
    6.8471   -1.4172   -0.3511 H   0  0  0  0  0
    6.8960   -3.1608   -0.2170 H   0  0  0  0  0
    6.5129   -3.0628    2.2234 H   0  0  0  0  0
    6.4805   -1.3073    2.2009 H   0  0  0  0  0
    8.8898   -0.8766    0.2957 H   0  0  0  0  0
   10.0811   -0.9452    1.5727 H   0  0  0  0  0
    8.5696   -0.0528    1.8396 H   0  0  0  0  0
    8.3145   -3.2759    3.7045 H   0  0  0  0  0
    8.3212   -1.5117    3.9218 H   0  0  0  0  0
    9.8034   -2.3784    3.4620 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 22  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 23  1  0  0  0
  9 10  1  0  0  0
  9 24  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 25  1  0  0  0
 13 26  1  0  0  0
 14 15  1  0  0  0
 14 27  1  0  0  0
 14 28  1  0  0  0
 15 17  1  0  0  0
 15 16  1  0  0  0
 16 29  1  0  0  0
 16 30  1  0  0  0
 16 31  1  0  0  0
 17 32  1  0  0  0
 17 33  1  0  0  0
 17 34  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3228801

>  <PubChem CID>
90654325

>  <Formula>
C13H16ClN3O

>  <Molecular Weight>
265.741000

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

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

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

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

>  <InChI Std. ID>
InChI=1S/C13H16ClN3O/c1-9-8-11(14)15-13-10(9)4-5-12(18)17(13)7-6-16(2)3/h4-5,8H,6-7H2,1-3H3

>  <InChI Key>
LIMRWMSGSLFEKB-UHFFFAOYSA-N

