69756185
  -OEChem-04232406582D

 43 45  0     0  0  0  0  0  0999 V2000
    2.0000    0.6702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7623   -0.2199    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -1.3540    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    0.6460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2622    0.6460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    1.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7622    1.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    2.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2622    2.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    0.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    0.6460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.8540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641    0.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.8540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    0.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -1.3886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.1669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.8748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038    1.6702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038   -2.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1545    0.0355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8448    0.4340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2872    1.9106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2872    1.1135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2371    1.1135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2371    1.9106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3698    2.9887    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6796    2.5902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8448    2.5902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1545    2.9887    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3822   -0.2200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4522   -0.7569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    1.2660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9331   -1.1640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773    1.3007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -2.0086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6238    1.6678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0062    2.2902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3839    1.6726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3839   -2.3805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0062   -2.9981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6238   -2.3757    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 20  1  0  0  0  0
  2 19  1  0  0  0  0
  2 21  1  0  0  0  0
  3  5  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4 13  1  0  0  0  0
  4 15  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  9  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 10  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 36  1  0  0  0  0
 17 19  2  0  0  0  0
 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
 20 38  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69756185

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
344

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx8AAAHgAQAAAADIzBngY+xvJIFACgAzRnRACCiCAxIiAA2CA+7JgNJuLE8ZuEMCpm0BnK6Aew0PMOoEABAgACQABAgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(6,7-dimethoxy-3-quinolyl)cyclohexanamine

> <PUBCHEM_IUPAC_CAS_NAME>
1-(6,7-dimethoxy-3-quinolinyl)-1-cyclohexanamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-(6,7-dimethoxyquinolin-3-yl)cyclohexan-1-amine

> <PUBCHEM_IUPAC_NAME>
1-(6,7-dimethoxyquinolin-3-yl)cyclohexan-1-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(6,7-dimethoxyquinolin-3-yl)cyclohexan-1-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[1-(6,7-dimethoxy-3-quinolyl)cyclohexyl]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H22N2O2/c1-20-15-9-12-8-13(17(18)6-4-3-5-7-17)11-19-14(12)10-16(15)21-2/h8-11H,3-7,18H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
JVPXJHSSDGWYHL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.6

> <PUBCHEM_EXACT_MASS>
286.168127949

> <PUBCHEM_MOLECULAR_FORMULA>
C17H22N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
286.37

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC2=CC(=CN=C2C=C1OC)C3(CCCCC3)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC2=CC(=CN=C2C=C1OC)C3(CCCCC3)N

> <PUBCHEM_CACTVS_TPSA>
57.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
286.168127949

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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  12  8
11  13  8
12  14  8
14  15  8
14  16  8
15  17  8
16  18  8
17  19  8
18  19  8
4  13  8
4  15  8

$$$$