54712871
  -OEChem-05042415412D

 35 37  0     0  0  0  0  0  0999 V2000
    5.5301    1.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -1.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -1.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    0.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -1.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7817    1.5946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -2.0946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284    0.3929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4017    1.5874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7889    2.2146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1618    1.6018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6879   -0.9284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.7762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3121   -1.9999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7252    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9932    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    2.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312    0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 32  1  0  0  0  0
  2 12  2  0  0  0  0
  3  5  1  0  0  0  0
  3 12  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  9  2  0  0  0  0
  6 11  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 23  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 18  1  0  0  0  0
 16 30  1  0  0  0  0
 17 19  2  0  0  0  0
 17 31  1  0  0  0  0
 18 20  2  0  0  0  0
 18 33  1  0  0  0  0
 19 20  1  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
54712871

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
423

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB6MAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHgAQCAAADAyBmAAywILAAgCIAiVSUACCAAAhIgAIiAEAbMgIJjLAlZGEcAhm1AHI2QeYyPCOwAACQAASAACAAASAACQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-hydroxy-5,7-dimethyl-3-phenyl-1H-quinolin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
4-hydroxy-5,7-dimethyl-3-phenyl-1H-quinolin-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-hydroxy-5,7-dimethyl-3-phenyl-1<I>H</I>-quinolin-2-one

> <PUBCHEM_IUPAC_NAME>
4-hydroxy-5,7-dimethyl-3-phenyl-1H-quinolin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5,7-dimethyl-4-oxidanyl-3-phenyl-1H-quinolin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-hydroxy-5,7-dimethyl-3-phenyl-carbostyril

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H15NO2/c1-10-8-11(2)14-13(9-10)18-17(20)15(16(14)19)12-6-4-3-5-7-12/h3-9H,1-2H3,(H2,18,19,20)

> <PUBCHEM_IUPAC_INCHIKEY>
PPLSLNORHQCJDZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.1

> <PUBCHEM_EXACT_MASS>
265.110278721

> <PUBCHEM_MOLECULAR_FORMULA>
C17H15NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
265.31

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=C2C(=C1)NC(=O)C(=C2O)C3=CC=CC=C3)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=C2C(=C1)NC(=O)C(=C2O)C3=CC=CC=C3)C

> <PUBCHEM_CACTVS_TPSA>
49.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
265.110278721

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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>
10  11  8
13  16  8
13  17  8
16  18  8
17  19  8
18  20  8
19  20  8
3  12  8
3  5  8
4  5  8
4  6  8
4  7  8
5  9  8
6  11  8
7  8  8
8  12  8
9  10  8

$$$$