54683801
  -OEChem-05102407012D

 34 36  0     0  0  0  0  0  0999 V2000
    4.6660    0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    2.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.0603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -2.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    0.5596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -2.7496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.2621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.9279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5932    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991   -0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331    2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 31  1  0  0  0  0
  2 11  2  0  0  0  0
  3 14  2  0  0  0  0
  4 20  1  0  0  0  0
  4 34  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  5 23  1  0  0  0  0
  6 14  1  0  0  0  0
  6 17  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 24  1  0  0  0  0
 13 16  1  0  0  0  0
 13 25  1  0  0  0  0
 15 16  2  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 29  1  0  0  0  0
 19 21  2  0  0  0  0
 19 30  1  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
 21 32  1  0  0  0  0
 22 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
54683801

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
502

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7OAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHgAQCAAADAyBmAAwxoLAAgCIAiVSUACCAAAhIgAIiAEGbMgIJirK0ZOEcAhm1BnI2QeQ0CMOAAAAAgACAAAAAAAEAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-hydroxy-N-(3-hydroxyphenyl)-2-oxo-1H-quinoline-3-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-hydroxy-N-(3-hydroxyphenyl)-2-oxo-1H-quinoline-3-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-hydroxy-<I>N</I>-(3-hydroxyphenyl)-2-oxo-1<I>H</I>-quinoline-3-carboxamide

> <PUBCHEM_IUPAC_NAME>
4-hydroxy-N-(3-hydroxyphenyl)-2-oxo-1H-quinoline-3-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(3-hydroxyphenyl)-4-oxidanyl-2-oxidanylidene-1H-quinoline-3-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-hydroxy-N-(3-hydroxyphenyl)-2-keto-1H-quinoline-3-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H12N2O4/c19-10-5-3-4-9(8-10)17-15(21)13-14(20)11-6-1-2-7-12(11)18-16(13)22/h1-8,19H,(H,17,21)(H2,18,20,22)

> <PUBCHEM_IUPAC_INCHIKEY>
JFHRQAGLXHCZAR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.9

> <PUBCHEM_EXACT_MASS>
296.07970687

> <PUBCHEM_MOLECULAR_FORMULA>
C16H12N2O4

> <PUBCHEM_MOLECULAR_WEIGHT>
296.28

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C(=C(C(=O)N2)C(=O)NC3=CC(=CC=C3)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)C(=C(C(=O)N2)C(=O)NC3=CC(=CC=C3)O)O

> <PUBCHEM_CACTVS_TPSA>
98.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
296.07970687

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  15  8
13  16  8
15  16  8
17  18  8
17  19  8
18  20  8
19  21  8
20  22  8
21  22  8
5  11  8
5  8  8
7  10  8
7  12  8
7  8  8
8  13  8
9  10  8
9  11  8

$$$$