54676085
  -OEChem-05062418052D

 30 31  0     0  0  0  0  0  0999 V2000
    6.3981    1.8571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.1429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.1429    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -1.1671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    0.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -0.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381   -1.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381    0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718   -2.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -1.7976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    1.5117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.7629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1963    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4401    0.3201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    1.1671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8201    1.3940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079   -0.1323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619   -0.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921   -1.2086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2518   -2.1695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8742   -2.7871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4918   -2.1647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    2.1671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 30  1  0  0  0  0
  2 13  2  0  0  0  0
  3  6  1  0  0  0  0
  3 13  1  0  0  0  0
  3 19  1  0  0  0  0
  4  7  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
 11 18  1  0  0  0  0
 12 20  1  0  0  0  0
 14 21  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
54676085

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
336

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACBAAAAHgAQCAAADAyBmAQywIPAAgCIAiVSUACCAAAhIgAIiAEIbMgIJiLA0dGEcAhm1AHI2QeQ0CMOCAAAAAQCAAAQAAAACAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
7-(dimethylamino)-4-hydroxy-3-methyl-1H-quinolin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
7-(dimethylamino)-4-hydroxy-3-methyl-1H-quinolin-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
7-(dimethylamino)-4-hydroxy-3-methyl-1<I>H</I>-quinolin-2-one

> <PUBCHEM_IUPAC_NAME>
7-(dimethylamino)-4-hydroxy-3-methyl-1H-quinolin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
7-(dimethylamino)-3-methyl-4-oxidanyl-1H-quinolin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
7-(dimethylamino)-4-hydroxy-3-methyl-carbostyril

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

> <PUBCHEM_IUPAC_INCHIKEY>
XPQWPECKQDBFCL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.2

> <PUBCHEM_EXACT_MASS>
218.105527694

> <PUBCHEM_MOLECULAR_FORMULA>
C12H14N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
218.25

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C2=C(C=C(C=C2)N(C)C)NC1=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C2=C(C=C(C=C2)N(C)C)NC1=O)O

> <PUBCHEM_CACTVS_TPSA>
52.6

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

$$$$