
 CHEMBL3228818

 39 40  0  0  0  0  0  0  0  0999 V2000
   -0.6536   -0.2114    0.2240 C   0  0  0  0  0
    0.7979    0.0938   -0.0156 C   0  0  0  0  0
    1.1791    1.3997   -0.3353 C   0  0  0  0  0
    2.5237    1.6871   -0.5278 C   0  0  0  0  0
    3.4903    0.7518   -0.4094 N   0  0  0  0  0
    3.1290   -0.5190   -0.1249 C   0  0  0  0  0
    1.7941   -0.8949    0.0653 C   0  0  0  0  0
    1.4935   -2.3134    0.4558 C   0  0  0  0  0
    2.4632   -3.2584   -0.2200 C   0  0  0  0  0
    3.8930   -2.8500    0.0353 C   0  0  0  0  0
    4.7649   -3.7103    0.1543 O   0  0  0  0  0
    4.1527   -1.4912    0.0092 N   0  0  0  0  0
    5.5411   -1.0230    0.0690 C   0  0  0  0  0
    6.1638   -0.8391   -1.3301 C   0  0  0  0  0
    7.5850   -0.4248   -1.3163 N   0  0  0  0  0
    8.1160   -0.4364   -2.6819 C   0  0  0  0  0
    7.7560    0.9069   -0.7316 C   0  0  0  0  0
    2.9560    3.0820   -0.8661 C   0  0  0  0  0
   -1.2593    0.7012    0.2373 H   0  0  0  0  0
   -0.7863   -0.7013    1.1941 H   0  0  0  0  0
   -1.0406   -0.8580   -0.5696 H   0  0  0  0  0
    0.4387    2.1894   -0.4245 H   0  0  0  0  0
    1.5697   -2.3976    1.5470 H   0  0  0  0  0
    0.4771   -2.6016    0.1678 H   0  0  0  0  0
    2.3102   -4.2735    0.1622 H   0  0  0  0  0
    2.3076   -3.2770   -1.3053 H   0  0  0  0  0
    6.1352   -1.7564    0.6277 H   0  0  0  0  0
    5.5730   -0.0990    0.6571 H   0  0  0  0  0
    5.5684   -0.1289   -1.9180 H   0  0  0  0  0
    6.0874   -1.8045   -1.8485 H   0  0  0  0  0
    8.0394   -1.4383   -3.1186 H   0  0  0  0  0
    9.1808   -0.1773   -2.6833 H   0  0  0  0  0
    7.5892    0.2679   -3.3364 H   0  0  0  0  0
    7.5070    0.9052    0.3340 H   0  0  0  0  0
    7.1421    1.6627   -1.2343 H   0  0  0  0  0
    8.8043    1.2222   -0.7915 H   0  0  0  0  0
    4.0353    3.1222   -1.0463 H   0  0  0  0  0
    2.7207    3.7608   -0.0407 H   0  0  0  0  0
    2.4484    3.4273   -1.7723 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 12  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 23  1  0  0  0
  8 24  1  0  0  0
  9 10  1  0  0  0
  9 25  1  0  0  0
  9 26  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 27  1  0  0  0
 13 28  1  0  0  0
 14 15  1  0  0  0
 14 29  1  0  0  0
 14 30  1  0  0  0
 15 17  1  0  0  0
 15 16  1  0  0  0
 16 31  1  0  0  0
 16 32  1  0  0  0
 16 33  1  0  0  0
 17 34  1  0  0  0
 17 35  1  0  0  0
 17 36  1  0  0  0
 18 37  1  0  0  0
 18 38  1  0  0  0
 18 39  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3228818

>  <PubChem CID>
23335380

>  <Formula>
C14H21N3O

>  <Molecular Weight>
247.342000

>  <IUPAC Name>
1-[2-(dimethylamino)ethyl]-5,7-dimethyl-3,4-dihydro-1,8-naphthyridin-2-one

>  <XlogP>
1.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC(=NC2=C1CCC(=O)N2CCN(C)C)C

>  <Isomeric SMILES>
CC1=CC(=NC2=C1CCC(=O)N2CCN(C)C)C

>  <InChI Std. ID>
InChI=1S/C14H21N3O/c1-10-9-11(2)15-14-12(10)5-6-13(18)17(14)8-7-16(3)4/h9H,5-8H2,1-4H3

>  <InChI Key>
KNDFPRAPQJJNAT-UHFFFAOYSA-N

