
 CHEMBL3228814

 43 44  0  0  0  0  0  0  0  0999 V2000
    0.5012    0.3723    0.1161 C   0  0  0  0  0
    1.9951    0.2127    0.1747 C   0  0  0  0  0
    2.7898    1.3545    0.3272 C   0  0  0  0  0
    4.1678    1.2185    0.4004 C   0  0  0  0  0
    4.7839    0.0219    0.3163 N   0  0  0  0  0
    4.0296   -1.0898    0.1484 C   0  0  0  0  0
    2.6279   -1.0414    0.0814 C   0  0  0  0  0
    1.8804   -2.2870   -0.0839 C   0  0  0  0  0
    2.5294   -3.4513   -0.1645 C   0  0  0  0  0
    4.0053   -3.5308   -0.0916 C   0  0  0  0  0
    4.5256   -4.6439   -0.1404 O   0  0  0  0  0
    4.6981   -2.3401    0.0311 N   0  0  0  0  0
    6.1653   -2.3656    0.1237 C   0  0  0  0  0
    6.9671   -2.2579   -1.2292 C   0  0  0  0  0
    6.5893   -3.4293   -2.1717 C   0  0  0  0  0
    6.5891   -0.9736   -2.0091 C   0  0  0  0  0
    8.4616   -2.2722   -1.0333 N   0  0  0  0  0
    8.9909   -1.1107   -0.3099 C   0  0  0  0  0
    8.9821   -3.4949   -0.4127 C   0  0  0  0  0
    5.0479    2.4281    0.5181 C   0  0  0  0  0
    0.2056    1.4247    0.1849 H   0  0  0  0  0
    0.0294   -0.1554    0.9515 H   0  0  0  0  0
    0.1119   -0.0139   -0.8313 H   0  0  0  0  0
    2.3399    2.3417    0.3887 H   0  0  0  0  0
    0.7992   -2.2667   -0.1365 H   0  0  0  0  0
    2.0091   -4.3938   -0.2816 H   0  0  0  0  0
    6.4306   -3.3118    0.6109 H   0  0  0  0  0
    6.4844   -1.5899    0.8284 H   0  0  0  0  0
    6.6871   -4.4044   -1.6849 H   0  0  0  0  0
    7.2234   -3.4362   -3.0668 H   0  0  0  0  0
    5.5535   -3.3459   -2.5206 H   0  0  0  0  0
    6.7159   -0.0672   -1.4107 H   0  0  0  0  0
    5.5465   -0.9982   -2.3461 H   0  0  0  0  0
    7.2066   -0.8635   -2.9092 H   0  0  0  0  0
    8.7796   -0.1715   -0.8288 H   0  0  0  0  0
   10.0852   -1.1642   -0.2540 H   0  0  0  0  0
    8.6131   -1.0417    0.7151 H   0  0  0  0  0
    8.7271   -4.3898   -0.9862 H   0  0  0  0  0
    8.6368   -3.6241    0.6179 H   0  0  0  0  0
   10.0785   -3.4699   -0.3917 H   0  0  0  0  0
    4.6395    3.1375    1.2452 H   0  0  0  0  0
    5.1342    2.9211   -0.4556 H   0  0  0  0  0
    6.0520    2.1447    0.8524 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 17  1  0  0  0
 14 16  1  0  0  0
 14 15  1  0  0  0
 15 29  1  0  0  0
 15 30  1  0  0  0
 15 31  1  0  0  0
 16 32  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>
CHEMBL3228814

>  <PubChem CID>
90654326

>  <Formula>
C16H23N3O

>  <Molecular Weight>
273.380000

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

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC(=NC2=C1C=CC(=O)N2CC(C)(C)N(C)C)C

>  <Isomeric SMILES>
CC1=CC(=NC2=C1C=CC(=O)N2CC(C)(C)N(C)C)C

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

>  <InChI Key>
LOJYXGAEYJPAGA-UHFFFAOYSA-N

