
 CHEMBL3228792

 37 38  0  0  0  0  0  0  0  0999 V2000
    3.7614   -0.5199    0.4376 C   0  0  0  0  0
    4.8527   -0.0285   -0.5040 C   0  0  0  0  0
    5.0822    1.4626   -0.4402 C   0  0  0  0  0
    4.0122    2.2601   -0.2079 N   0  0  0  0  0
    4.1922    3.6034   -0.1975 C   0  0  0  0  0
    5.4362    4.1911   -0.4397 C   0  0  0  0  0
    6.5268    3.3595   -0.6894 C   0  0  0  0  0
    6.3483    1.9792   -0.6955 C   0  0  0  0  0
    5.5803    5.6409   -0.4391 C   0  0  0  0  0
    4.5044    6.4046   -0.2280 C   0  0  0  0  0
    3.1627    5.8182    0.0150 C   0  0  0  0  0
    2.2142    6.5858    0.1660 O   0  0  0  0  0
    3.0748    4.4398    0.0574 N   0  0  0  0  0
    1.7769    3.8084    0.3018 C   0  0  0  0  0
    1.0464    3.4528   -1.0090 C   0  0  0  0  0
   -0.3079    2.8860   -0.8232 N   0  0  0  0  0
   -0.9655    2.7427   -2.1249 C   0  0  0  0  0
   -0.2658    1.5891   -0.1451 C   0  0  0  0  0
    3.6710   -1.6091    0.3737 H   0  0  0  0  0
    2.7876   -0.0884    0.1835 H   0  0  0  0  0
    3.9884   -0.2567    1.4762 H   0  0  0  0  0
    4.5962   -0.2949   -1.5357 H   0  0  0  0  0
    5.7825   -0.5523   -0.2513 H   0  0  0  0  0
    7.5123    3.7727   -0.8859 H   0  0  0  0  0
    7.1882    1.3225   -0.9009 H   0  0  0  0  0
    6.5547    6.0811   -0.6160 H   0  0  0  0  0
    4.5559    7.4868   -0.2252 H   0  0  0  0  0
    1.1518    4.4999    0.8804 H   0  0  0  0  0
    1.9261    2.9303    0.9396 H   0  0  0  0  0
    1.6631    2.7711   -1.6091 H   0  0  0  0  0
    0.9584    4.3795   -1.5925 H   0  0  0  0  0
   -1.0484    3.7138   -2.6258 H   0  0  0  0  0
   -1.9881    2.3687   -2.0010 H   0  0  0  0  0
   -0.4253    2.0566   -2.7877 H   0  0  0  0  0
    0.0890    1.6935    0.8848 H   0  0  0  0  0
    0.3758    0.8697   -0.6661 H   0  0  0  0  0
   -1.2719    1.1602   -0.0723 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  1  0  0  0
  2 22  1  0  0  0
  2 23  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 13  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 24  1  0  0  0
  8 25  1  0  0  0
  9 10  2  0  0  0
  9 26  1  0  0  0
 10 11  1  0  0  0
 10 27  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 28  1  0  0  0
 14 29  1  0  0  0
 15 16  1  0  0  0
 15 30  1  0  0  0
 15 31  1  0  0  0
 16 18  1  0  0  0
 16 17  1  0  0  0
 17 32  1  0  0  0
 17 33  1  0  0  0
 17 34  1  0  0  0
 18 35  1  0  0  0
 18 36  1  0  0  0
 18 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3228792

>  <PubChem CID>
90654318

>  <Formula>
C14H19N3O

>  <Molecular Weight>
245.326000

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

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCC1=NC2=C(C=C1)C=CC(=O)N2CCN(C)C

>  <Isomeric SMILES>
CCC1=NC2=C(C=C1)C=CC(=O)N2CCN(C)C

>  <InChI Std. ID>
InChI=1S/C14H19N3O/c1-4-12-7-5-11-6-8-13(18)17(14(11)15-12)10-9-16(2)3/h5-8H,4,9-10H2,1-3H3

>  <InChI Key>
FDYGQUIPVAUOKO-UHFFFAOYSA-N

