67832777
  -OEChem-05142411242D

 30 31  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    0.3450    0.0000 C   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
    4.3083    0.8797    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    0.3450    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
    3.4022    0.3658    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
    4.3198    1.8796    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
    2.8665    0.6779    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
    4.9398    1.8724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3270    2.4996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6999    1.8868    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 28  1  0  0  0  0
  2 10  2  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  3 14  1  0  0  0  0
  4 13  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  7 15  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 11 13  2  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  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
 15 23  1  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
 16 26  1  0  0  0  0
 16 27  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
67832777

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
351

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACBAAAAHgAQCAAADAyBmAQywINAAgCIAiVSUACCAAAhIgAAiAEIbMgIJiLA0dGEcAhm1gHI2QeQ0KEOiAAAQAQSAAAQAACACCQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
7-amino-4-hydroxy-1,3,5-trimethyl-quinolin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
7-amino-4-hydroxy-1,3,5-trimethyl-2-quinolinone

> <PUBCHEM_IUPAC_NAME_MARKUP>
7-amino-4-hydroxy-1,3,5-trimethylquinolin-2-one

> <PUBCHEM_IUPAC_NAME>
7-amino-4-hydroxy-1,3,5-trimethylquinolin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
7-azanyl-1,3,5-trimethyl-4-oxidanyl-quinolin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
7-amino-4-hydroxy-1,3,5-trimethyl-carbostyril

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H14N2O2/c1-6-4-8(13)5-9-10(6)11(15)7(2)12(16)14(9)3/h4-5,15H,13H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
VDAACGUDRUKZOQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.9

> <PUBCHEM_EXACT_MASS>
218.105527694

> <PUBCHEM_MOLECULAR_FORMULA>
C12H14N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
218.25

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=CC2=C1C(=C(C(=O)N2C)C)O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=CC2=C1C(=C(C(=O)N2C)C)O)N

> <PUBCHEM_CACTVS_TPSA>
66.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
218.105527694

> <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>
11  13  8
12  13  8
3  10  8
3  6  8
5  6  8
5  7  8
5  8  8
6  11  8
7  12  8
8  9  8
9  10  8

$$$$