69057670
  -OEChem-04262413352D

 41 43  0     0  0  0  0  0  0999 V2000
    5.4804    0.3393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920   -2.7300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9096    3.3791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920   -0.6607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3406    0.8493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0610    1.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2124    0.3593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3291    1.8492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0726    0.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1893    2.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9212    2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338   -0.8624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338   -2.5282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2196   -0.2607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7886    2.1530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6131    0.5655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1821    2.9791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1400    1.7991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5305    2.4939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    0.3047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    0.3047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4430    3.6953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3692    3.6829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -3.6953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.3153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -3.6953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 13  1  0  0  0  0
  2 10  1  0  0  0  0
  2 22  1  0  0  0  0
  3 12  1  0  0  0  0
  3 23  1  0  0  0  0
  4  7  2  0  0  0  0
  4 16  1  0  0  0  0
  5 21  1  0  0  0  0
  5 37  1  0  0  0  0
  5 38  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
  9 24  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
 11 25  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 16  2  0  0  0  0
 14 26  1  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 27  1  0  0  0  0
 17 19  1  0  0  0  0
 17 28  1  0  0  0  0
 18 20  2  0  0  0  0
 18 29  1  0  0  0  0
 19 30  1  0  0  0  0
 20 31  1  0  0  0  0
 21 32  1  0  0  0  0
 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
 22 35  1  0  0  0  0
 22 36  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69057670

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
360

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx9AAAHgAQAAAADAzBngY+xvJIFACgAzRnRACCiCAxIiAI2KA+7JgNJuLEsZuGOCrmwBnK6Afw8L8OIEABAgACQABAgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]methanamine

> <PUBCHEM_IUPAC_CAS_NAME>
[4-[(6,7-dimethoxy-4-quinolinyl)oxy]phenyl]methanamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]methanamine

> <PUBCHEM_IUPAC_NAME>
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]methanamine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]methanamine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[4-[(6,7-dimethoxy-4-quinolyl)oxy]benzyl]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H18N2O3/c1-21-17-9-14-15(10-18(17)22-2)20-8-7-16(14)23-13-5-3-12(11-19)4-6-13/h3-10H,11,19H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
ZNTNSNCFSSWRLW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.5

> <PUBCHEM_EXACT_MASS>
310.13174244

> <PUBCHEM_MOLECULAR_FORMULA>
C18H18N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
310.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)CN

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)CN

> <PUBCHEM_CACTVS_TPSA>
66.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
310.13174244

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <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  12  8
11  12  8
13  17  8
13  18  8
14  16  8
15  19  8
15  20  8
17  19  8
18  20  8
4  16  8
4  7  8
6  7  8
6  8  8
6  9  8
7  11  8
8  14  8
9  10  8

$$$$