
 CHEMBL2392152

 39 42  0  0  0  0  0  0  0  0999 V2000
   -0.2005    1.3571   -2.9941 C   0  0  0  0  0
   -1.4130    1.1603   -3.6447 C   0  0  0  0  0
   -2.4339    0.4307   -3.0220 C   0  0  0  0  0
   -2.2765   -0.1164   -1.7546 C   0  0  0  0  0
   -1.0357    0.0896   -1.1036 C   0  0  0  0  0
   -0.0107    0.8231   -1.7235 C   0  0  0  0  0
   -0.8543   -0.4561    0.1695 C   0  0  0  0  0
   -1.8815   -1.1814    0.7541 C   0  0  0  0  0
   -3.0662   -1.3352    0.0450 C   0  0  0  0  0
   -3.2857   -0.8151   -1.1931 N   0  0  0  0  0
   -4.1786   -2.1228    0.6694 C   0  0  0  0  0
   -3.9856   -2.6369    1.7657 O   0  0  0  0  0
   -5.3496   -2.1806   -0.0712 N   0  0  0  0  0
   -6.5505   -2.8450    0.2850 C   0  0  0  0  0
   -6.6663   -3.6255    1.4448 C   0  0  0  0  0
   -7.8666   -4.2590    1.7813 C   0  0  0  0  0
   -8.9772   -4.1219    0.9604 C   0  0  0  0  0
   -8.8748   -3.3562   -0.2023 C   0  0  0  0  0
   -7.6761   -2.7241   -0.5501 C   0  0  0  0  0
   -7.5618   -1.9711   -1.6982 O   0  0  0  0  0
   -8.6592   -1.8718   -2.5453 C   0  0  0  0  0
   -9.8548   -2.4259   -2.3026 C   0  0  0  0  0
  -10.0439   -3.2091   -1.0786 C   0  0  0  0  0
  -11.1283   -3.7128   -0.8190 O   0  0  0  0  0
   -8.4556   -1.0851   -3.7873 C   0  0  0  0  0
   -7.4509   -0.4540   -4.0623 O   0  0  0  0  0
   -9.4940   -1.1332   -4.6423 O   0  0  0  0  0
    0.5950    1.9231   -3.4728 H   0  0  0  0  0
   -1.5702    1.5728   -4.6383 H   0  0  0  0  0
   -3.3767    0.2866   -3.5451 H   0  0  0  0  0
    0.9411    0.9804   -1.2199 H   0  0  0  0  0
    0.0799   -0.3243    0.7096 H   0  0  0  0  0
   -1.7589   -1.6162    1.7413 H   0  0  0  0  0
   -5.3389   -1.6605   -0.9480 H   0  0  0  0  0
   -5.8305   -3.7730    2.1213 H   0  0  0  0  0
   -7.9251   -4.8573    2.6878 H   0  0  0  0  0
   -9.9128   -4.6108    1.2234 H   0  0  0  0  0
  -10.7141   -2.3409   -2.9564 H   0  0  0  0  0
   -9.2012   -0.5919   -5.4052 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  3  4  2  0  0  0
  3 30  1  0  0  0
  4  5  1  0  0  0
  4 10  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 31  1  0  0  0
  7  8  2  0  0  0
  7 32  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  1  0  0  0
 13 34  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 35  1  0  0  0
 16 17  2  0  0  0
 16 36  1  0  0  0
 17 18  1  0  0  0
 17 37  1  0  0  0
 18 23  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 21 25  1  0  0  0
 22 23  1  0  0  0
 22 38  1  0  0  0
 23 24  2  0  0  0
 25 27  1  0  0  0
 25 26  2  0  0  0
 27 39  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2392152

>  <PubChem CID>
71735030

>  <Formula>
C20H12N2O5

>  <Molecular Weight>
360.325000

>  <IUPAC Name>
4-oxo-8-(quinoline-2-carbonylamino)chromene-2-carboxylic acid

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC=C2C(=C1)C=CC(=N2)C(=O)NC3=CC=CC4=C3OC(=CC4=O)C(=O)O

>  <Isomeric SMILES>
C1=CC=C2C(=C1)C=CC(=N2)C(=O)NC3=CC=CC4=C3OC(=CC4=O)C(=O)O

>  <InChI Std. ID>
InChI=1S/C20H12N2O5/c23-16-10-17(20(25)26)27-18-12(16)5-3-7-14(18)22-19(24)15-9-8-11-4-1-2-6-13(11)21-15/h1-10H,(H,22,24)(H,25,26)

>  <InChI Key>
CKKVVXBKJMOMEW-UHFFFAOYSA-N

