
 CHEMBL3228793

 40 41  0  0  0  0  0  0  0  0999 V2000
    5.7728   -0.9171    0.0972 C   0  0  0  0  0
    5.9691   -0.1797   -1.2280 C   0  0  0  0  0
    4.8359   -0.5022   -2.2033 C   0  0  0  0  0
    6.0708    1.3161   -1.0025 C   0  0  0  0  0
    4.9986    1.9407   -0.4564 N   0  0  0  0  0
    5.0591    3.2794   -0.2555 C   0  0  0  0  0
    6.1907    4.0313   -0.5804 C   0  0  0  0  0
    7.2866    3.3764   -1.1407 C   0  0  0  0  0
    7.2277    2.0029   -1.3564 C   0  0  0  0  0
    6.2170    5.4677   -0.3373 C   0  0  0  0  0
    5.1554    6.0561    0.2217 C   0  0  0  0  0
    3.9415    5.2882    0.5962 C   0  0  0  0  0
    3.0178    5.8931    1.1370 O   0  0  0  0  0
    3.9343    3.9372    0.3053 N   0  0  0  0  0
    2.7559    3.1359    0.6395 C   0  0  0  0  0
    2.8628    2.4962    2.0388 C   0  0  0  0  0
    1.6710    1.7180    2.4429 N   0  0  0  0  0
    1.5053    0.5174    1.6212 C   0  0  0  0  0
    1.7802    1.3396    3.8541 C   0  0  0  0  0
    6.5886   -0.6939    0.7938 H   0  0  0  0  0
    5.7554   -2.0006   -0.0632 H   0  0  0  0  0
    4.8328   -0.6351    0.5842 H   0  0  0  0  0
    6.9051   -0.5402   -1.6741 H   0  0  0  0  0
    3.8601   -0.1981   -1.8078 H   0  0  0  0  0
    4.7948   -1.5777   -2.4064 H   0  0  0  0  0
    4.9832    0.0146   -3.1585 H   0  0  0  0  0
    8.1855    3.9227   -1.4130 H   0  0  0  0  0
    8.0747    1.4850   -1.7953 H   0  0  0  0  0
    7.0970    6.0395   -0.6085 H   0  0  0  0  0
    5.1256    7.1193    0.4268 H   0  0  0  0  0
    2.6022    2.3869   -0.1446 H   0  0  0  0  0
    1.8713    3.7848    0.6135 H   0  0  0  0  0
    3.0067    3.3147    2.7572 H   0  0  0  0  0
    3.7643    1.8729    2.1012 H   0  0  0  0  0
    1.2861    0.7764    0.5808 H   0  0  0  0  0
    0.6486   -0.0715    1.9693 H   0  0  0  0  0
    2.3927   -0.1251    1.6423 H   0  0  0  0  0
    1.8539    2.2297    4.4891 H   0  0  0  0  0
    2.6527    0.7042    4.0460 H   0  0  0  0  0
    0.8829    0.8005    4.1790 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 14  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  8 27  1  0  0  0
  9 28  1  0  0  0
 10 11  2  0  0  0
 10 29  1  0  0  0
 11 12  1  0  0  0
 11 30  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 31  1  0  0  0
 15 32  1  0  0  0
 16 17  1  0  0  0
 16 33  1  0  0  0
 16 34  1  0  0  0
 17 19  1  0  0  0
 17 18  1  0  0  0
 18 35  1  0  0  0
 18 36  1  0  0  0
 18 37  1  0  0  0
 19 38  1  0  0  0
 19 39  1  0  0  0
 19 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3228793

>  <PubChem CID>
90654317

>  <Formula>
C15H21N3O

>  <Molecular Weight>
259.353000

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

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

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

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

>  <InChI Std. ID>
InChI=1S/C15H21N3O/c1-11(2)13-7-5-12-6-8-14(19)18(15(12)16-13)10-9-17(3)4/h5-8,11H,9-10H2,1-4H3

>  <InChI Key>
IMOXZAHBEVJCKQ-UHFFFAOYSA-N

