
 CHEMBL3298273

 33 35  0  0  0  0  0  0  0  0999 V2000
   -1.7288    1.1161   -0.4231 C   0  0  0  0  0
   -2.9358    0.2121   -0.6226 C   0  0  0  0  0
   -3.1038   -0.6912    0.4943 N   0  0  0  0  0
   -2.0406   -1.3636    1.0486 C   0  0  0  0  0
   -2.2083   -2.3120    1.8041 O   0  0  0  0  0
   -0.6868   -0.8842    0.6854 C   0  0  0  0  0
   -0.5270    0.2908   -0.0507 C   0  0  0  0  0
    0.6901    0.7764   -0.4099 N   0  0  0  0  0
    1.7734    0.0652   -0.0231 C   0  0  0  0  0
    1.7041   -1.1094    0.7109 C   0  0  0  0  0
    0.4493   -1.5930    1.0727 C   0  0  0  0  0
    3.0380    0.5041   -0.3555 O   0  0  0  0  0
    3.0245    1.7169   -1.1082 C   0  0  0  0  0
    4.4523    2.1076   -1.4113 C   0  0  0  0  0
    4.9769    3.3196   -0.9428 C   0  0  0  0  0
    6.2889    3.6714   -1.2445 C   0  0  0  0  0
    7.0986    2.8392   -2.0080 C   0  0  0  0  0
    6.5892    1.6306   -2.4783 C   0  0  0  0  0
    5.2726    1.2670   -2.1820 C   0  0  0  0  0
    6.7783    4.8340   -0.7935 F   0  0  0  0  0
   -1.9185    1.8271    0.3899 H   0  0  0  0  0
   -1.5342    1.6897   -1.3356 H   0  0  0  0  0
   -3.8524    0.8004   -0.7267 H   0  0  0  0  0
   -2.8165   -0.4032   -1.5223 H   0  0  0  0  0
   -4.0086   -1.1111    0.6772 H   0  0  0  0  0
    2.6084   -1.6348    0.9973 H   0  0  0  0  0
    0.3590   -2.5092    1.6509 H   0  0  0  0  0
    2.5382    2.5154   -0.5331 H   0  0  0  0  0
    2.4950    1.5816   -2.0605 H   0  0  0  0  0
    4.3777    3.9978   -0.3425 H   0  0  0  0  0
    8.1183    3.1368   -2.2293 H   0  0  0  0  0
    7.2148    0.9707   -3.0738 H   0  0  0  0  0
    4.8849    0.3190   -2.5513 H   0  0  0  0  0
  1  2  1  0  0  0
  1  7  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6 11  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
 10 11  2  0  0  0
 10 26  1  0  0  0
 11 27  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 28  1  0  0  0
 13 29  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 30  1  0  0  0
 16 17  2  0  0  0
 16 20  1  0  0  0
 17 18  1  0  0  0
 17 31  1  0  0  0
 18 19  2  0  0  0
 18 32  1  0  0  0
 19 33  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3298273

>  <PubChem CID>
57405264

>  <Formula>
C15H13FN2O2

>  <Molecular Weight>
272.279000

>  <IUPAC Name>
2-[(3-fluorophenyl)methoxy]-7,8-dihydro-6H-1,6-naphthyridin-5-one

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CNC(=O)C2=C1N=C(C=C2)OCC3=CC(=CC=C3)F

>  <Isomeric SMILES>
C1CNC(=O)C2=C1N=C(C=C2)OCC3=CC(=CC=C3)F

>  <InChI Std. ID>
InChI=1S/C15H13FN2O2/c16-11-3-1-2-10(8-11)9-20-14-5-4-12-13(18-14)6-7-17-15(12)19/h1-5,8H,6-7,9H2,(H,17,19)

>  <InChI Key>
FMUAFDSEYCJYKD-UHFFFAOYSA-N

