
 CHEMBL3228794

 43 44  0  0  0  0  0  0  0  0999 V2000
    2.9213    0.9904   -2.3304 C   0  0  0  0  0
    2.6425    1.7444   -1.0276 C   0  0  0  0  0
    1.1321    1.8364   -0.7972 C   0  0  0  0  0
    3.3124    1.0704    0.1848 C   0  0  0  0  0
    4.8200    1.0551    0.1129 C   0  0  0  0  0
    5.4467    2.2550    0.0711 N   0  0  0  0  0
    6.7991    2.2781    0.0213 C   0  0  0  0  0
    7.5642    1.1084    0.0101 C   0  0  0  0  0
    6.9053   -0.1194    0.0602 C   0  0  0  0  0
    5.5156   -0.1486    0.1149 C   0  0  0  0  0
    9.0187    1.1770   -0.0519 C   0  0  0  0  0
    9.6149    2.3703   -0.1208 C   0  0  0  0  0
    8.8359    3.6330   -0.1322 C   0  0  0  0  0
    9.4486    4.6940   -0.2391 O   0  0  0  0  0
    7.4616    3.5306   -0.0222 N   0  0  0  0  0
    6.6575    4.7535   -0.0316 C   0  0  0  0  0
    6.3482    5.2305   -1.4654 C   0  0  0  0  0
    5.5216    6.4561   -1.5468 N   0  0  0  0  0
    6.2056    7.6142   -0.9665 C   0  0  0  0  0
    5.1891    6.7326   -2.9475 C   0  0  0  0  0
    3.9891    0.9934   -2.5707 H   0  0  0  0  0
    2.3971    1.4602   -3.1695 H   0  0  0  0  0
    2.5895   -0.0514   -2.2655 H   0  0  0  0  0
    3.0284    2.7661   -1.1362 H   0  0  0  0  0
    0.6861    0.8421   -0.6826 H   0  0  0  0  0
    0.6383    2.3335   -1.6391 H   0  0  0  0  0
    0.9107    2.4133    0.1071 H   0  0  0  0  0
    2.9294    0.0481    0.2984 H   0  0  0  0  0
    3.0352    1.6046    1.1029 H   0  0  0  0  0
    7.4605   -1.0534    0.0579 H   0  0  0  0  0
    4.9913   -1.0980    0.1562 H   0  0  0  0  0
    9.5970    0.2602   -0.0449 H   0  0  0  0  0
   10.6918    2.4759   -0.1746 H   0  0  0  0  0
    7.2316    5.5214    0.4994 H   0  0  0  0  0
    5.7349    4.6139    0.5434 H   0  0  0  0  0
    5.8133    4.4170   -1.9740 H   0  0  0  0  0
    7.2882    5.3711   -2.0162 H   0  0  0  0  0
    6.3307    7.4969    0.1141 H   0  0  0  0  0
    5.6061    8.5220   -1.0997 H   0  0  0  0  0
    7.1891    7.7843   -1.4182 H   0  0  0  0  0
    4.6356    5.8953   -3.3864 H   0  0  0  0  0
    6.0823    6.9143   -3.5566 H   0  0  0  0  0
    4.5369    7.6101   -3.0224 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 15  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 30  1  0  0  0
 10 31  1  0  0  0
 11 12  2  0  0  0
 11 32  1  0  0  0
 12 13  1  0  0  0
 12 33  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 34  1  0  0  0
 16 35  1  0  0  0
 17 18  1  0  0  0
 17 36  1  0  0  0
 17 37  1  0  0  0
 18 20  1  0  0  0
 18 19  1  0  0  0
 19 38  1  0  0  0
 19 39  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
M  END

>  <Chemical Name>
CHEMBL3228794

>  <PubChem CID>
90654316

>  <Formula>
C16H23N3O

>  <Molecular Weight>
273.380000

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

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)CC1=NC2=C(C=C1)C=CC(=O)N2CCN(C)C

>  <Isomeric SMILES>
CC(C)CC1=NC2=C(C=C1)C=CC(=O)N2CCN(C)C

>  <InChI Std. ID>
InChI=1S/C16H23N3O/c1-12(2)11-14-7-5-13-6-8-15(20)19(16(13)17-14)10-9-18(3)4/h5-8,12H,9-11H2,1-4H3

>  <InChI Key>
KNLRUGMUARAOBZ-UHFFFAOYSA-N

