3243290
  -OEChem-05032421262D

 40 43  0     1  0  0  0  0  0999 V2000
    4.5981   -3.6296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8704    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.3580   -2.6643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.3704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6420    2.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500    3.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501    3.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7480    3.9396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -2.1505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -0.1046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -0.1046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    0.9780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    0.2878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    2.4530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    1.7627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    0.2627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    0.9530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1754    2.0610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3095    3.7156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.8196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1882    3.7267    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7456    4.5596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.4396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509    0.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998   -0.7967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998   -2.4625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -3.9396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 40  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  3 17  1  0  0  0  0
  3 22  2  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  8  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 31  1  0  0  0  0
 12 16  1  0  0  0  0
 12 32  1  0  0  0  0
 13 17  1  0  0  0  0
 13 19  1  0  0  0  0
 14 18  2  0  0  0  0
 14 33  1  0  0  0  0
 15 16  2  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 20  2  0  0  0  0
 18 20  1  0  0  0  0
 18 36  1  0  0  0  0
 19 21  2  0  0  0  0
 19 37  1  0  0  0  0
 21 22  1  0  0  0  0
 21 38  1  0  0  0  0
 22 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3243290

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
374

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx9AAAHgAACAAADAzBngQ8xvMIEgCgAzRnRASCgCAxYiAI2CA/bJgKJuLSkZOEcAhkwBHY2AeQ0LIOoAABQAASEABAAAKAACQgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-(3,4-dihydro-2H-quinolin-1-ylmethyl)quinolin-8-ol

> <PUBCHEM_IUPAC_CAS_NAME>
5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-8-quinolinol

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-(3,4-dihydro-2<I>H</I>-quinolin-1-ylmethyl)quinolin-8-ol

> <PUBCHEM_IUPAC_NAME>
5-(3,4-dihydro-2H-quinolin-1-ylmethyl)quinolin-8-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-(3,4-dihydro-2H-quinolin-1-ylmethyl)quinolin-8-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-(3,4-dihydro-2H-quinolin-1-ylmethyl)quinolin-8-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H18N2O/c22-18-10-9-15(16-7-3-11-20-19(16)18)13-21-12-4-6-14-5-1-2-8-17(14)21/h1-3,5,7-11,22H,4,6,12-13H2

> <PUBCHEM_IUPAC_INCHIKEY>
XFWZCGBSXBBLDJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.8

> <PUBCHEM_EXACT_MASS>
290.141913202

> <PUBCHEM_MOLECULAR_FORMULA>
C19H18N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
290.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC2=CC=CC=C2N(C1)CC3=C4C=CC=NC4=C(C=C3)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC2=CC=CC=C2N(C1)CC3=C4C=CC=NC4=C(C=C3)O

> <PUBCHEM_CACTVS_TPSA>
36.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
290.141913202

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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
10  14  8
11  15  8
12  16  8
13  17  8
13  19  8
14  18  8
15  16  8
17  20  8
18  20  8
19  21  8
21  22  8
3  17  8
3  22  8
7  11  8
7  8  8
8  12  8

$$$$