70597320
  -OEChem-05112413422D

 31 32  0     1  0  0  0  0  0999 V2000
    6.3465    1.8765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580   -1.1928    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.8660   -1.1581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    0.8766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3465   -2.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4732   -1.2626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8750   -0.5728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998    0.6748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.6519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7265   -2.1855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3393   -2.8126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9664   -2.1999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.1212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.3481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.1950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -2.1581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -2.1581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8798    2.1927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 31  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2 13  1  0  0  0  0
  3  8  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  6 10  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  2  0  0  0  0
  7 18  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
 10 19  1  0  0  0  0
 11 12  2  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70597320

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
262

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzIAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACBAAAAHgAACAAADAzBmAQywIMAAgCAAiRCQACCAAAhIgAIiAAIbIgIJiLA0dGEcAhmwAHI2AeQ0CMOCAAAAAQCAAAQAAAACAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
7-(dimethylamino)-1-methyl-2H-quinolin-4-ol

> <PUBCHEM_IUPAC_CAS_NAME>
7-(dimethylamino)-1-methyl-2H-quinolin-4-ol

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

> <PUBCHEM_IUPAC_NAME>
7-(dimethylamino)-1-methyl-2H-quinolin-4-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
7-(dimethylamino)-1-methyl-2H-quinolin-4-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
7-(dimethylamino)-1-methyl-2H-quinolin-4-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H16N2O/c1-13(2)9-4-5-10-11(8-9)14(3)7-6-12(10)15/h4-6,8,15H,7H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
NPUYEPYMFRHFKC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.9

> <PUBCHEM_EXACT_MASS>
204.126263138

> <PUBCHEM_MOLECULAR_FORMULA>
C12H16N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
204.27

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1CC=C(C2=C1C=C(C=C2)N(C)C)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1CC=C(C2=C1C=C(C=C2)N(C)C)O

> <PUBCHEM_CACTVS_TPSA>
26.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
204.126263138

> <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>
11  12  8
4  5  8
4  7  8
5  11  8
7  8  8
8  12  8

$$$$