644901
  -OEChem-05062413532D

 33 35  0     0  0  0  0  0  0999 V2000
    3.7320   -3.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920   -2.6297    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920   -0.5603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    0.2973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    0.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848    0.0596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338   -0.7621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338   -2.4279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 33  1  0  0  0  0
  2  6  1  0  0  0  0
  2 12  1  0  0  0  0
  2 23  1  0  0  0  0
  3  7  1  0  0  0  0
  3 14  2  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  2  0  0  0  0
  8 11  2  0  0  0  0
  8 22  1  0  0  0  0
  9 11  1  0  0  0  0
 10 13  2  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 17  1  0  0  0  0
 15 28  1  0  0  0  0
 16 18  2  0  0  0  0
 16 29  1  0  0  0  0
 17 19  2  0  0  0  0
 17 30  1  0  0  0  0
 18 19  1  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
644901

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
278

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7IAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx9AAAHgAQCAAADAzBngQ8xvLIEgCgAzRnRASCgCAxYiAI2KA/bJgKJuLSkZOEcAhk0BHY2AeQ0LIOoAABQAASEABAAAKAACQgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-(anilinomethyl)quinolin-8-ol

> <PUBCHEM_IUPAC_CAS_NAME>
5-(anilinomethyl)-8-quinolinol

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-(anilinomethyl)quinolin-8-ol

> <PUBCHEM_IUPAC_NAME>
5-(anilinomethyl)quinolin-8-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-(phenylazanylmethyl)quinolin-8-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-(anilinomethyl)quinolin-8-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H14N2O/c19-15-9-8-12(14-7-4-10-17-16(14)15)11-18-13-5-2-1-3-6-13/h1-10,18-19H,11H2

> <PUBCHEM_IUPAC_INCHIKEY>
KPZWEHRUSPUFCK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
3.5

> <PUBCHEM_EXACT_MASS>
250.110613074

> <PUBCHEM_MOLECULAR_FORMULA>
C16H14N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
250.29

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)NCC2=C3C=CC=NC3=C(C=C2)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)NCC2=C3C=CC=NC3=C(C=C2)O

> <PUBCHEM_CACTVS_TPSA>
45.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
250.110613074

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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
12  15  8
12  16  8
13  14  8
15  17  8
16  18  8
17  19  8
18  19  8
3  14  8
3  7  8
4  5  8
4  8  8
5  10  8
5  7  8
7  9  8
8  11  8
9  11  8

$$$$