1380879
  -OEChem-04272400272D

 29 31  0     0  0  0  0  0  0999 V2000
    2.9176   -1.3765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.3419    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.3419    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.1581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    1.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.3419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    1.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.2781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    1.4681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    2.3127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.9619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.1748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    1.4909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.9619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331   -0.1519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3843   -1.6927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331    1.4681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.2781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 27  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  7  1  0  0  0  0
  3 14  1  0  0  0  0
  3 22  1  0  0  0  0
  4 14  1  0  0  0  0
  4 18  2  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 10  2  0  0  0  0
  8 19  1  0  0  0  0
  9 12  2  0  0  0  0
 10 20  1  0  0  0  0
 11 13  2  0  0  0  0
 11 21  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 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 25  1  0  0  0  0
 16 17  2  0  0  0  0
 16 26  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>
1380879

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
274

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAAAAAAAAAAAAAAAAAAAAAAAAA8WIAAAAAAAACx/AAAHgAQCAAADAzBngQ99vLIEgCgAzZnZASCgCkxYiAJ2CA/bJiKJuLSmZOEcAhs0BPY2CeQwLAOAAABAAACEAAAAAIAAAQgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(2-pyridylamino)quinolin-8-ol

> <PUBCHEM_IUPAC_CAS_NAME>
2-(2-pyridinylamino)-8-quinolinol

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(pyridin-2-ylamino)quinolin-8-ol

> <PUBCHEM_IUPAC_NAME>
2-(pyridin-2-ylamino)quinolin-8-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(pyridin-2-ylamino)quinolin-8-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(2-pyridylamino)quinolin-8-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H11N3O/c18-11-5-3-4-10-7-8-13(17-14(10)11)16-12-6-1-2-9-15-12/h1-9,18H,(H,15,16,17)

> <PUBCHEM_IUPAC_INCHIKEY>
OOARQNZKJHFUSB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
237.090211983

> <PUBCHEM_MOLECULAR_FORMULA>
C14H11N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
237.26

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=NC(=C1)NC2=NC3=C(C=CC=C3O)C=C2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=NC(=C1)NC2=NC3=C(C=CC=C3O)C=C2

> <PUBCHEM_CACTVS_TPSA>
58

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
237.090211983

> <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>
11  13  8
12  13  8
14  15  8
15  16  8
16  17  8
17  18  8
2  6  8
2  7  8
4  14  8
4  18  8
5  11  8
5  6  8
5  8  8
6  9  8
7  10  8
8  10  8
9  12  8

$$$$