67442221
  -OEChem-04252410282D

 27 28  0     0  0  0  0  0  0999 V2000
    6.0682    1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003   -1.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682   -1.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381   -1.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083   -1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083    0.8797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022   -0.6758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022    0.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3154   -1.8096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3154    1.4996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4482   -2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682   -2.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6882   -2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8665    0.6779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1103    0.3081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3372    1.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4903    1.3819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6052    2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5405   -1.7992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 25  1  0  0  0  0
  2  9  2  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 13  1  0  0  0  0
  4 12  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
 10 12  2  0  0  0  0
 10 16  1  0  0  0  0
 11 14  2  0  0  0  0
 11 17  1  0  0  0  0
 12 14  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
 14 21  1  0  0  0  0
 15 22  1  0  0  0  0
 15 23  1  0  0  0  0
 15 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
67442221

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
325

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACBAAAAHgAQCAAADAyBmAQywINAAgCIAiVSUACCAAAhIgAIiAEIbMgIJiLA0dGEcAhm1gHI2QeQ0CEOCAAAAAQCAAAQAAAACAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
7-amino-4-hydroxy-1,3-dimethyl-quinolin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
7-amino-4-hydroxy-1,3-dimethyl-2-quinolinone

> <PUBCHEM_IUPAC_NAME_MARKUP>
7-amino-4-hydroxy-1,3-dimethylquinolin-2-one

> <PUBCHEM_IUPAC_NAME>
7-amino-4-hydroxy-1,3-dimethylquinolin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
7-azanyl-1,3-dimethyl-4-oxidanyl-quinolin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
7-amino-4-hydroxy-1,3-dimethyl-carbostyril

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H12N2O2/c1-6-10(14)8-4-3-7(12)5-9(8)13(2)11(6)15/h3-5,14H,12H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
BWGPJRCENLTLBI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.6

> <PUBCHEM_EXACT_MASS>
204.089877630

> <PUBCHEM_MOLECULAR_FORMULA>
C11H12N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
204.22

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C2=C(C=C(C=C2)N)N(C1=O)C)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C2=C(C=C(C=C2)N)N(C1=O)C)O

> <PUBCHEM_CACTVS_TPSA>
66.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
204.089877630

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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  12  8
11  14  8
12  14  8
3  5  8
3  9  8
5  10  8
5  6  8
6  11  8
6  8  8
7  8  8
7  9  8

$$$$