
 CHEMBL195522

 37 39  0  0  0  0  0  0  0  0999 V2000
    0.7246    0.5395    0.2810 C   0  0  0  0  0
    2.2191    0.5301    0.1518 C   0  0  0  0  0
    2.8737   -0.5595    0.6261 N   0  0  0  0  0
    4.2180   -0.5859    0.5121 C   0  0  0  0  0
    4.9429    0.4525   -0.0713 C   0  0  0  0  0
    4.2613    1.5607   -0.5684 C   0  0  0  0  0
    2.8745    1.5985   -0.4574 C   0  0  0  0  0
    6.4219    0.3549   -0.1341 C   0  0  0  0  0
    7.0775    1.2485   -0.6643 O   0  0  0  0  0
    7.0753   -0.8434    0.4742 C   0  0  0  0  0
    6.2595   -1.7782    0.9917 C   0  0  0  0  0
    4.8954   -1.6992    1.0048 N   0  0  0  0  0
    8.5481   -1.0524    0.5688 C   0  0  0  0  0
    9.0232   -2.0424    1.1206 O   0  0  0  0  0
    9.3157   -0.0608    0.0191 N   0  0  0  0  0
   10.7568   -0.0950    0.0277 C   0  0  0  0  0
   11.3039   -0.7214   -1.2287 C   0  0  0  0  0
   11.5409    0.0552   -2.3724 C   0  0  0  0  0
   12.0458   -0.5335   -3.5345 C   0  0  0  0  0
   12.3078   -1.9019   -3.5611 C   0  0  0  0  0
   12.0629   -2.6890   -2.4386 C   0  0  0  0  0
   11.5573   -2.1007   -1.2775 C   0  0  0  0  0
   12.9340   -2.6244   -4.9920 Cl  0  0  0  0  0
    0.3809    1.4957    0.6882 H   0  0  0  0  0
    0.3891   -0.2534    0.9573 H   0  0  0  0  0
    0.2629    0.3781   -0.6977 H   0  0  0  0  0
    4.7997    2.3835   -1.0307 H   0  0  0  0  0
    2.3176    2.4508   -0.8352 H   0  0  0  0  0
    6.6457   -2.6830    1.4564 H   0  0  0  0  0
    4.3241   -2.4143    1.4365 H   0  0  0  0  0
    8.8504    0.7032   -0.4695 H   0  0  0  0  0
   11.1159   -0.6353    0.9114 H   0  0  0  0  0
   11.1105    0.9382    0.1192 H   0  0  0  0  0
   11.3345    1.1233   -2.3638 H   0  0  0  0  0
   12.2305    0.0789   -4.4129 H   0  0  0  0  0
   12.2588   -3.7575   -2.4591 H   0  0  0  0  0
   11.3558   -2.7233   -0.4065 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4 12  1  0  0  0
  4  5  2  0  0  0
  5  8  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 27  1  0  0  0
  7 28  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  2  0  0  0
 10 13  1  0  0  0
 11 12  1  0  0  0
 11 29  1  0  0  0
 12 30  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
 15 31  1  0  0  0
 16 17  1  0  0  0
 16 32  1  0  0  0
 16 33  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 34  1  0  0  0
 19 20  2  0  0  0
 19 35  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 21 22  2  0  0  0
 21 36  1  0  0  0
 22 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL195522

>  <PubChem CID>
9945283

>  <Formula>
C17H14ClN3O2

>  <Molecular Weight>
327.768000

>  <IUPAC Name>
N-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=NC2=C(C=C1)C(=O)C(=CN2)C(=O)NCC3=CC=C(C=C3)Cl

>  <Isomeric SMILES>
CC1=NC2=C(C=C1)C(=O)C(=CN2)C(=O)NCC3=CC=C(C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C17H14ClN3O2/c1-10-2-7-13-15(22)14(9-19-16(13)21-10)17(23)20-8-11-3-5-12(18)6-4-11/h2-7,9H,8H2,1H3,(H,20,23)(H,19,21,22)

>  <InChI Key>
BCPIVBRTJNYLEK-UHFFFAOYSA-N

