
 CHEMBL3228813

 43 44  0  0  0  0  0  0  0  0999 V2000
   -0.8834    2.0111    1.1707 C   0  0  0  0  0
    0.6087    2.0623    0.9891 C   0  0  0  0  0
    1.1375    2.8419   -0.0452 C   0  0  0  0  0
    2.5134    2.8933   -0.2271 C   0  0  0  0  0
    3.3764    2.2095    0.5552 N   0  0  0  0  0
    2.8765    1.4600    1.5679 C   0  0  0  0  0
    1.4985    1.3565    1.8199 C   0  0  0  0  0
    1.0367    0.5280    2.9342 C   0  0  0  0  0
    1.9188   -0.1198    3.6990 C   0  0  0  0  0
    3.3756   -0.0340    3.4526 C   0  0  0  0  0
    4.1265   -0.6742    4.1845 O   0  0  0  0  0
    3.7917    0.7648    2.4043 N   0  0  0  0  0
    5.2197    0.8454    2.1102 C   0  0  0  0  0
    5.6873   -0.3278    1.2437 C   0  0  0  0  0
    7.1817   -0.2250    0.9261 C   0  0  0  0  0
    7.6502   -1.4181    0.0815 C   0  0  0  0  0
    9.0994   -1.4124   -0.1863 N   0  0  0  0  0
    9.4884   -2.6666   -0.8378 C   0  0  0  0  0
    9.5043   -0.2796   -1.0208 C   0  0  0  0  0
    3.0959    3.7444   -1.3156 C   0  0  0  0  0
   -1.4007    2.6370    0.4354 H   0  0  0  0  0
   -1.1605    2.3787    2.1640 H   0  0  0  0  0
   -1.2471    0.9864    1.0418 H   0  0  0  0  0
    0.4847    3.4095   -0.7028 H   0  0  0  0  0
   -0.0227    0.4404    3.1413 H   0  0  0  0  0
    1.6150   -0.7423    4.5315 H   0  0  0  0  0
    5.7676    0.8273    3.0609 H   0  0  0  0  0
    5.4677    1.8045    1.6418 H   0  0  0  0  0
    5.1127   -0.3522    0.3096 H   0  0  0  0  0
    5.4851   -1.2737    1.7613 H   0  0  0  0  0
    7.7548   -0.1868    1.8608 H   0  0  0  0  0
    7.3582    0.7163    0.3942 H   0  0  0  0  0
    7.0831   -1.4535   -0.8578 H   0  0  0  0  0
    7.4017   -2.3318    0.6379 H   0  0  0  0  0
    9.2474   -3.5250   -0.2010 H   0  0  0  0  0
   10.5716   -2.6970   -1.0023 H   0  0  0  0  0
    8.9893   -2.8020   -1.8044 H   0  0  0  0  0
    9.3725    0.6689   -0.4912 H   0  0  0  0  0
    8.9436   -0.2376   -1.9614 H   0  0  0  0  0
   10.5721   -0.3393   -1.2618 H   0  0  0  0  0
    2.7128    3.4287   -2.2910 H   0  0  0  0  0
    4.1874    3.6619   -1.3338 H   0  0  0  0  0
    2.8368    4.7953   -1.1509 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  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  4  5  2  0  0  0
  4 20  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 25  1  0  0  0
  9 10  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 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
 20 41  1  0  0  0
 20 42  1  0  0  0
 20 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3228813

>  <PubChem CID>
23335394

>  <Formula>
C16H23N3O

>  <Molecular Weight>
273.380000

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

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC(=NC2=C1C=CC(=O)N2CCCCN(C)C)C

>  <Isomeric SMILES>
CC1=CC(=NC2=C1C=CC(=O)N2CCCCN(C)C)C

>  <InChI Std. ID>
InChI=1S/C16H23N3O/c1-12-11-13(2)17-16-14(12)7-8-15(20)19(16)10-6-5-9-18(3)4/h7-8,11H,5-6,9-10H2,1-4H3

>  <InChI Key>
BLDTVOQTFSAVNK-UHFFFAOYSA-N

