44887544
  -OEChem-05042400362D

 32 34  0     0  0  0  0  0  0999 V2000
    2.9176   -2.1092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.9254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.9254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.0746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    2.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.9601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.1093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8656   -0.0496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6626   -0.0496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1860    2.5080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    1.8177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3422    0.3428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7407    1.0330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6626    2.9003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8656    2.9003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671    2.2354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.5454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -0.8846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    1.5800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.7583    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.9075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3843   -2.4254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 32  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 26  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  2  0  0  0  0
  5  7  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  8  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  2  0  0  0  0
 10 27  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 28  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 29  1  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
44887544

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
255

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAAAAAAAAAAAAAAAAAAAAAAAAA8WIAAAAAAAACx8AAAHgAQCAAADAzBngQ8xvPIEgCgAzRnRASCgCAxciAI2KAvfJgKZuLSkZOUcAhk0BHY2AeQ0LMOAAABAAACEAAAAAIAAAQgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-piperazin-1-ylquinolin-8-ol

> <PUBCHEM_IUPAC_CAS_NAME>
3-(1-piperazinyl)-8-quinolinol

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-piperazin-1-ylquinolin-8-ol

> <PUBCHEM_IUPAC_NAME>
3-piperazin-1-ylquinolin-8-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-piperazin-1-ylquinolin-8-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-piperazinoquinolin-8-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H15N3O/c17-12-3-1-2-10-8-11(9-15-13(10)12)16-6-4-14-5-7-16/h1-3,8-9,14,17H,4-7H2

> <PUBCHEM_IUPAC_INCHIKEY>
MUXXYPZLUHFHTQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.3

> <PUBCHEM_EXACT_MASS>
229.121512110

> <PUBCHEM_MOLECULAR_FORMULA>
C13H15N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
229.28

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CN(CCN1)C2=CN=C3C(=C2)C=CC=C3O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CN(CCN1)C2=CN=C3C(=C2)C=CC=C3O

> <PUBCHEM_CACTVS_TPSA>
48.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
229.121512110

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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  11  8
11  13  8
11  14  8
13  15  8
14  16  8
15  17  8
16  17  8
4  12  8
4  13  8
9  10  8
9  12  8

$$$$