
 CHEMBL3228809

 49 50  0  0  0  0  0  0  0  0999 V2000
    2.8041   -3.7960   -4.9419 C   0  0  0  0  0
    3.9279   -3.2883   -4.0814 C   0  0  0  0  0
    5.0126   -2.6462   -4.6923 C   0  0  0  0  0
    6.0630   -2.1855   -3.9100 C   0  0  0  0  0
    6.0807   -2.3269   -2.5691 N   0  0  0  0  0
    5.0312   -2.9320   -1.9670 C   0  0  0  0  0
    3.9320   -3.4301   -2.6808 C   0  0  0  0  0
    2.8370   -4.0691   -1.9488 C   0  0  0  0  0
    2.8967   -4.1820   -0.6192 C   0  0  0  0  0
    4.0556   -3.6793    0.1556 C   0  0  0  0  0
    4.0583   -3.8495    1.3743 O   0  0  0  0  0
    5.0606   -3.0529   -0.5540 N   0  0  0  0  0
    6.2442   -2.5700    0.1636 C   0  0  0  0  0
    7.2980   -3.6914    0.3510 C   0  0  0  0  0
    8.5318   -3.3484    1.0981 N   0  0  0  0  0
    8.3012   -2.5711    2.3365 C   0  0  0  0  0
    7.3164   -3.1766    3.3485 C   0  0  0  0  0
    9.5883   -2.1656    3.0707 C   0  0  0  0  0
    9.5289   -4.4427    1.1650 C   0  0  0  0  0
    9.0990   -5.6986    1.9314 C   0  0  0  0  0
   10.0298   -4.8555   -0.2312 C   0  0  0  0  0
    7.2271   -1.4614   -4.5144 C   0  0  0  0  0
    2.9898   -3.6007   -6.0035 H   0  0  0  0  0
    1.8653   -3.2995   -4.6765 H   0  0  0  0  0
    2.6940   -4.8790   -4.8245 H   0  0  0  0  0
    5.0379   -2.5062   -5.7691 H   0  0  0  0  0
    1.9765   -4.4489   -2.4863 H   0  0  0  0  0
    2.1066   -4.6493   -0.0433 H   0  0  0  0  0
    5.8937   -2.2019    1.1320 H   0  0  0  0  0
    6.6814   -1.7007   -0.3420 H   0  0  0  0  0
    7.5780   -4.0070   -0.6600 H   0  0  0  0  0
    6.8061   -4.5526    0.8157 H   0  0  0  0  0
    7.8703   -1.6150    2.0110 H   0  0  0  0  0
    7.7109   -4.0697    3.8349 H   0  0  0  0  0
    6.3570   -3.4405    2.8984 H   0  0  0  0  0
    7.1027   -2.4493    4.1403 H   0  0  0  0  0
   10.3525   -1.8064    2.3732 H   0  0  0  0  0
   10.0046   -2.9948    3.6528 H   0  0  0  0  0
    9.3805   -1.3457    3.7683 H   0  0  0  0  0
   10.4293   -4.0629    1.6610 H   0  0  0  0  0
    8.1799   -6.1368    1.5324 H   0  0  0  0  0
    8.9587   -5.4938    2.9940 H   0  0  0  0  0
    9.8768   -6.4685    1.8701 H   0  0  0  0  0
    9.2497   -5.3249   -0.8377 H   0  0  0  0  0
   10.8438   -5.5849   -0.1423 H   0  0  0  0  0
   10.4268   -3.9920   -0.7765 H   0  0  0  0  0
    7.2259   -1.5299   -5.6063 H   0  0  0  0  0
    8.1646   -1.8918   -4.1483 H   0  0  0  0  0
    7.1896   -0.4048   -4.2320 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  4  5  2  0  0  0
  4 22  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 27  1  0  0  0
  9 10  1  0  0  0
  9 28  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 29  1  0  0  0
 13 30  1  0  0  0
 14 15  1  0  0  0
 14 31  1  0  0  0
 14 32  1  0  0  0
 15 19  1  0  0  0
 15 16  1  0  0  0
 16 18  1  0  0  0
 16 17  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
 19 21  1  0  0  0
 19 20  1  0  0  0
 19 40  1  0  0  0
 20 41  1  0  0  0
 20 42  1  0  0  0
 20 43  1  0  0  0
 21 44  1  0  0  0
 21 45  1  0  0  0
 21 46  1  0  0  0
 22 47  1  0  0  0
 22 48  1  0  0  0
 22 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3228809

>  <PubChem CID>
22753551

>  <Formula>
C18H27N3O

>  <Molecular Weight>
301.434000

>  <IUPAC Name>
1-[2-[di(propan-2-yl)amino]ethyl]-5,7-dimethyl-1,8-naphthyridin-2-one

>  <XlogP>
3.200

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

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

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

>  <InChI Std. ID>
InChI=1S/C18H27N3O/c1-12(2)20(13(3)4)9-10-21-17(22)8-7-16-14(5)11-15(6)19-18(16)21/h7-8,11-13H,9-10H2,1-6H3

>  <InChI Key>
DMAVWHMFMKGVEG-UHFFFAOYSA-N

