
 CHEMBL3228789

 34 35  0  0  0  0  0  0  0  0999 V2000
    0.6629    0.1633   -0.1297 C   0  0  0  0  0
    2.1634    0.1152   -0.0477 C   0  0  0  0  0
    2.8827   -1.0953   -0.0043 C   0  0  0  0  0
    2.2232   -2.4016   -0.0332 C   0  0  0  0  0
    2.9487   -3.5209    0.0473 C   0  0  0  0  0
    4.4240   -3.4875    0.1602 C   0  0  0  0  0
    5.0232   -4.5543    0.2809 O   0  0  0  0  0
    5.0298   -2.2478    0.1179 N   0  0  0  0  0
    4.2853   -1.0396    0.0696 C   0  0  0  0  0
    4.9666    0.1297    0.1056 N   0  0  0  0  0
    4.2568    1.2730    0.0620 C   0  0  0  0  0
    2.8774    1.3174   -0.0143 C   0  0  0  0  0
    6.4897   -2.1696    0.2064 C   0  0  0  0  0
    6.9805   -2.0584    1.6638 C   0  0  0  0  0
    8.4523   -1.9768    1.7925 N   0  0  0  0  0
    8.8128   -1.5456    3.1452 C   0  0  0  0  0
    9.0890   -3.2638    1.5001 C   0  0  0  0  0
    0.2932    1.1946   -0.1365 H   0  0  0  0  0
    0.2170   -0.3367    0.7361 H   0  0  0  0  0
    0.3162   -0.3151   -1.0511 H   0  0  0  0  0
    1.1453   -2.4611   -0.1170 H   0  0  0  0  0
    2.4948   -4.5044    0.0348 H   0  0  0  0  0
    4.8464    2.1852    0.0910 H   0  0  0  0  0
    2.3730    2.2781   -0.0463 H   0  0  0  0  0
    6.8600   -1.3328   -0.3977 H   0  0  0  0  0
    6.8982   -3.0751   -0.2565 H   0  0  0  0  0
    6.5873   -2.8937    2.2588 H   0  0  0  0  0
    6.5373   -1.1484    2.0887 H   0  0  0  0  0
    8.3941   -0.5557    3.3587 H   0  0  0  0  0
    9.9003   -1.4487    3.2416 H   0  0  0  0  0
    8.4585   -2.2445    3.9116 H   0  0  0  0  0
    8.9201   -3.5655    0.4621 H   0  0  0  0  0
    8.7289   -4.0628    2.1582 H   0  0  0  0  0
   10.1762   -3.1881    1.6186 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2 12  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  4  5  2  0  0  0
  4 21  1  0  0  0
  5  6  1  0  0  0
  5 22  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8 13  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 23  1  0  0  0
 12 24  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>
CHEMBL3228789

>  <PubChem CID>
90668672

>  <Formula>
C13H17N3O

>  <Molecular Weight>
231.299000

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

>  <XlogP>
1.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=C2C=CC(=O)N(C2=NC=C1)CCN(C)C

>  <Isomeric SMILES>
CC1=C2C=CC(=O)N(C2=NC=C1)CCN(C)C

>  <InChI Std. ID>
InChI=1S/C13H17N3O/c1-10-6-7-14-13-11(10)4-5-12(17)16(13)9-8-15(2)3/h4-7H,8-9H2,1-3H3

>  <InChI Key>
KHVQVMMIBBESQC-UHFFFAOYSA-N

