70292601
  -OEChem-04262421532D

 47 49  0     1  0  0  0  0  0999 V2000
    2.0000    0.9879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920   -1.0467    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1340   -0.4846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    1.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    1.0121    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.0019   -0.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    0.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8660   -0.4779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.5087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2583    2.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    1.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.5329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1277    1.1354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5230   -0.3793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9242   -1.0680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3909    1.4952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5939    1.4922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7240    1.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6052   -1.4577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4023   -1.4546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4732    0.4168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0720    1.1055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0803   -1.0597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4762   -0.3679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8783    2.0145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2559    2.6321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6383    2.0097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4848    1.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338   -0.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    1.9879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.6079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    1.9879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -2.0121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -2.0121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 21  1  0  0  0  0
  2 20  1  0  0  0  0
  2 22  1  0  0  0  0
  3 14  1  0  0  0  0
  3 16  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 23  1  0  0  0  0
  5  8  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  9  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 28  1  0  0  0  0
  8 10  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 15  2  0  0  0  0
 13 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 40  1  0  0  0  0
 18 20  2  0  0  0  0
 18 41  1  0  0  0  0
 19 20  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70292601

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
342

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6MAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx8AAAHgAAAAAADQzBngY+xvIIFACgAzRnRACCiCAxIiAA2CA+7JgNJuLEsZuEMCpmwBnK6Aew0PMOoEABAgACQABAgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(1-cyclohexylethyl)-6,7-dimethoxy-quinoline

> <PUBCHEM_IUPAC_CAS_NAME>
3-(1-cyclohexylethyl)-6,7-dimethoxyquinoline

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-(1-cyclohexylethyl)-6,7-dimethoxyquinoline

> <PUBCHEM_IUPAC_NAME>
3-(1-cyclohexylethyl)-6,7-dimethoxyquinoline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-(1-cyclohexylethyl)-6,7-dimethoxy-quinoline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(1-cyclohexylethyl)-6,7-dimethoxy-quinoline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H25NO2/c1-13(14-7-5-4-6-8-14)16-9-15-10-18(21-2)19(22-3)11-17(15)20-12-16/h9-14H,4-8H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
WGBIWJVHSADBQF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.5

> <PUBCHEM_EXACT_MASS>
299.188529040

> <PUBCHEM_MOLECULAR_FORMULA>
C19H25NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
299.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C1CCCCC1)C2=CN=C3C=C(C(=CC3=C2)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C1CCCCC1)C2=CN=C3C=C(C(=CC3=C2)OC)OC

> <PUBCHEM_CACTVS_TPSA>
31.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
299.188529040

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

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

$$$$