44887545
  -OEChem-05072421382D

 30 32  0     0  0  0  0  0  0999 V2000
    2.9176   -1.6692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.6346    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.6693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.6346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.9854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.9854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    2.0200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -0.4446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    1.1983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.4675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7272   -0.4446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.9854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.2546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331    1.1754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331   -0.4446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3843   -1.9854    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  6  1  0  0  0  0
  2 10  1  0  0  0  0
  2 20  1  0  0  0  0
  3  5  2  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7 19  1  0  0  0  0
  8 12  2  0  0  0  0
  8 21  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 16  1  0  0  0  0
 14 25  1  0  0  0  0
 15 17  2  0  0  0  0
 15 26  1  0  0  0  0
 16 18  2  0  0  0  0
 16 27  1  0  0  0  0
 17 18  1  0  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
44887545

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
265

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx9AAAHgAQCAAADAzBngQ8xvLIEgCgAzRnRASCgCAxciAI2CAvfJgKZuLSkZOUcAhk0BHY2AeQ0LMOAAABAAACEAAAAAIAAAQgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-anilinoquinolin-8-ol

> <PUBCHEM_IUPAC_CAS_NAME>
3-anilino-8-quinolinol

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-anilinoquinolin-8-ol

> <PUBCHEM_IUPAC_NAME>
3-anilinoquinolin-8-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-phenylazanylquinolin-8-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-anilinoquinolin-8-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H12N2O/c18-14-8-4-5-11-9-13(10-16-15(11)14)17-12-6-2-1-3-7-12/h1-10,17-18H

> <PUBCHEM_IUPAC_INCHIKEY>
BPJXTVCIZAREGR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
236.094963011

> <PUBCHEM_MOLECULAR_FORMULA>
C15H12N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
236.27

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)NC2=CN=C3C(=C2)C=CC=C3O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)NC2=CN=C3C(=C2)C=CC=C3O

> <PUBCHEM_CACTVS_TPSA>
45.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
236.094963011

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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  14  8
10  15  8
12  13  8
14  16  8
15  17  8
16  18  8
17  18  8
3  11  8
3  5  8
4  5  8
4  7  8
4  8  8
5  9  8
6  11  8
6  7  8
8  12  8
9  13  8

$$$$