
 CHEMBL3986465

 39 42  0  0  0  0  0  0  0  0999 V2000
   -1.0909    2.6353    2.5878 C   0  0  0  0  0
   -0.9624    3.1401    1.1848 C   0  0  0  0  0
   -1.3759    4.2137    0.7747 O   0  0  0  0  0
   -0.3184    2.1843    0.4767 N   0  0  0  0  0
   -0.0226    1.1314    1.2660 C   0  0  0  0  0
    0.5418    0.1034    0.9271 O   0  0  0  0  0
   -0.4595    1.3550    2.5391 O   0  0  0  0  0
    0.0083    2.2725   -0.9272 C   0  0  0  0  0
    1.3675    2.8930   -1.1484 C   0  0  0  0  0
    2.5152    2.0895   -1.2048 C   0  0  0  0  0
    3.7879    2.6183   -1.3744 C   0  0  0  0  0
    4.8068    1.7527   -1.4427 N   0  0  0  0  0
    6.0540    2.2428   -1.5951 C   0  0  0  0  0
    6.3373    3.5945   -1.6589 C   0  0  0  0  0
    5.2853    4.5206   -1.5880 C   0  0  0  0  0
    3.9537    4.0207   -1.4669 C   0  0  0  0  0
    2.7870    4.8261   -1.4388 C   0  0  0  0  0
    1.5157    4.2727   -1.2704 C   0  0  0  0  0
    5.6266    5.9620   -1.6131 C   0  0  0  0  0
    5.2215    6.8273   -0.5790 C   0  0  0  0  0
    5.5738    8.1802   -0.5890 C   0  0  0  0  0
    6.3596    8.6755   -1.6201 C   0  0  0  0  0
    6.7927    7.8461   -2.6450 C   0  0  0  0  0
    6.4226    6.4979   -2.6446 C   0  0  0  0  0
    6.7100    9.9678   -1.6220 F   0  0  0  0  0
    7.1044    1.2699   -1.6965 C   0  0  0  0  0
    7.9884    0.5178   -1.7933 N   0  0  0  0  0
   -0.5583    3.2816    3.2886 H   0  0  0  0  0
   -2.1403    2.5145    2.8658 H   0  0  0  0  0
   -0.7563    2.8702   -1.4376 H   0  0  0  0  0
   -0.0177    1.2689   -1.3689 H   0  0  0  0  0
    2.4186    1.0071   -1.1083 H   0  0  0  0  0
    7.3685    3.9271   -1.7494 H   0  0  0  0  0
    2.8541    5.9062   -1.5528 H   0  0  0  0  0
    0.6475    4.9296   -1.2325 H   0  0  0  0  0
    4.6285    6.4506    0.2530 H   0  0  0  0  0
    5.2476    8.8448    0.2051 H   0  0  0  0  0
    7.4169    8.2507   -3.4359 H   0  0  0  0  0
    6.7687    5.8648   -3.4598 H   0  0  0  0  0
  1  7  1  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  8  9  1  0  0  0
  8 30  1  0  0  0
  8 31  1  0  0  0
  9 18  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 32  1  0  0  0
 11 16  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 26  1  0  0  0
 14 15  1  0  0  0
 14 33  1  0  0  0
 15 16  2  0  0  0
 15 19  1  0  0  0
 16 17  1  0  0  0
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 17 34  1  0  0  0
 18 35  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 36  1  0  0  0
 21 22  2  0  0  0
 21 37  1  0  0  0
 22 23  1  0  0  0
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 23 24  2  0  0  0
 23 38  1  0  0  0
 24 39  1  0  0  0
 26 27  3  0  0  0
M  END

>  <Chemical Name>
CHEMBL3986465

>  <PubChem CID>
89554951

>  <Formula>
C20H12FN3O3

>  <Molecular Weight>
361.332000

>  <IUPAC Name>
7-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carbonitrile

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1C(=O)N(C(=O)O1)CC2=CC3=NC(=CC(=C3C=C2)C4=CC=C(C=C4)F)C#N

>  <Isomeric SMILES>
C1C(=O)N(C(=O)O1)CC2=CC3=NC(=CC(=C3C=C2)C4=CC=C(C=C4)F)C#N

>  <InChI Std. ID>
InChI=1S/C20H12FN3O3/c21-14-4-2-13(3-5-14)17-8-15(9-22)23-18-7-12(1-6-16(17)18)10-24-19(25)11-27-20(24)26/h1-8H,10-11H2

>  <InChI Key>
AJUOQAFFUYWDQQ-UHFFFAOYSA-N

