54716441
  -OEChem-04252404522D

 28 29  0     0  0  0  0  0  0999 V2000
    7.8003    0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    6.0682    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
    6.9343    0.3450    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
    8.6663    0.3450    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
    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
    8.3563   -0.1919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2033    0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9763    0.8819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 16  1  0  0  0  0
  2  8  1  0  0  0  0
  2 23  1  0  0  0  0
  3  9  2  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 14  1  0  0  0  0
  5 13  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8 11  2  0  0  0  0
  9 11  1  0  0  0  0
 10 13  2  0  0  0  0
 10 17  1  0  0  0  0
 12 15  2  0  0  0  0
 12 18  1  0  0  0  0
 13 15  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  1  0  0  0  0
 15 22  1  0  0  0  0
 16 26  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
54716441

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
340

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACBAAAAHgAQCAAADAyBmAYywINABgCIAiVSUAKCCAAhIgAIiABIbMgKJiLA0dWFcAhm1gHY2QeQ0CEOCAAAAAQCAAAQAAAACAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
7-amino-4-hydroxy-3-methoxy-1-methyl-quinolin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
7-amino-4-hydroxy-3-methoxy-1-methyl-2-quinolinone

> <PUBCHEM_IUPAC_NAME_MARKUP>
7-amino-4-hydroxy-3-methoxy-1-methylquinolin-2-one

> <PUBCHEM_IUPAC_NAME>
7-amino-4-hydroxy-3-methoxy-1-methylquinolin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
7-azanyl-3-methoxy-1-methyl-4-oxidanyl-quinolin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
7-amino-4-hydroxy-3-methoxy-1-methyl-carbostyril

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H12N2O3/c1-13-8-5-6(12)3-4-7(8)9(14)10(16-2)11(13)15/h3-5,14H,12H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
KVFUICXSRCFFTC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.4

> <PUBCHEM_EXACT_MASS>
220.08479225

> <PUBCHEM_MOLECULAR_FORMULA>
C11H12N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
220.22

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C2=C(C=CC(=C2)N)C(=C(C1=O)OC)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C2=C(C=CC(=C2)N)C(=C(C1=O)OC)O

> <PUBCHEM_CACTVS_TPSA>
75.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
220.08479225

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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  13  8
12  15  8
13  15  8
4  6  8
4  9  8
6  10  8
6  7  8
7  12  8
7  8  8
8  11  8
9  11  8

$$$$