66835880
  -OEChem-05112422282D

 48 51  0     0  0  0  0  0  0999 V2000
    5.4804    0.2424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920   -2.8269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8045    0.7924    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.2922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920   -0.7576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0610    1.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9212    2.2823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3406    0.7524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1893    2.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0726    0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.2714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3291    1.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2124    0.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7930    1.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.3130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9096    3.2822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6531    2.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7698    3.7922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6416    3.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.7922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.4122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1821    2.8822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6131    0.4686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338   -0.9593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7886    2.0561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2196   -0.3576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338   -2.6251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3692    3.5860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1936    1.9986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7626    4.4122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1749    3.6184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3450    0.4886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2712    0.4762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    0.2078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    0.2078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -3.7922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.4122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -3.7922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 14  1  0  0  0  0
  2 12  1  0  0  0  0
  2 27  1  0  0  0  0
  3 15  1  0  0  0  0
  3 28  1  0  0  0  0
  4  7  2  0  0  0  0
  4 22  1  0  0  0  0
  5 21  1  0  0  0  0
  5 41  1  0  0  0  0
  5 42  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7 13  1  0  0  0  0
  8 18  1  0  0  0  0
  9 11  1  0  0  0  0
  9 16  2  0  0  0  0
  9 17  1  0  0  0  0
 10 12  2  0  0  0  0
 10 29  1  0  0  0  0
 11 21  1  0  0  0  0
 11 23  2  0  0  0  0
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 14 19  2  0  0  0  0
 14 20  1  0  0  0  0
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 17 20  2  0  0  0  0
 17 32  1  0  0  0  0
 18 22  2  0  0  0  0
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 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
 21 24  2  0  0  0  0
 22 36  1  0  0  0  0
 23 25  1  0  0  0  0
 23 37  1  0  0  0  0
 24 26  1  0  0  0  0
 24 38  1  0  0  0  0
 25 26  2  0  0  0  0
 25 39  1  0  0  0  0
 26 40  1  0  0  0  0
 27 43  1  0  0  0  0
 27 44  1  0  0  0  0
 27 45  1  0  0  0  0
 28 46  1  0  0  0  0
 28 47  1  0  0  0  0
 28 48  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
66835880

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
483

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAACx9AAAHgAQAAAADAzBngY+xvJIFACgAzRnRACCiCAxIiAI2CA+7JgNJuLEsZuGOCrm0BnK6Afw8P8OoEABAgACQABAgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]aniline

> <PUBCHEM_IUPAC_CAS_NAME>
2-[4-[(6,7-dimethoxy-4-quinolinyl)oxy]phenyl]aniline

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]aniline

> <PUBCHEM_IUPAC_NAME>
2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]aniline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]aniline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[2-[4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]phenyl]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H20N2O3/c1-26-22-13-18-20(14-23(22)27-2)25-12-11-21(18)28-16-9-7-15(8-10-16)17-5-3-4-6-19(17)24/h3-14H,24H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
CRTJDBGNFUIAJC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.6

> <PUBCHEM_EXACT_MASS>
372.14739250

> <PUBCHEM_MOLECULAR_FORMULA>
C23H20N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
372.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)C4=CC=CC=C4N

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)C4=CC=CC=C4N

> <PUBCHEM_CACTVS_TPSA>
66.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
372.14739250

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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  21  8
11  23  8
12  15  8
13  15  8
14  19  8
14  20  8
16  19  8
17  20  8
18  22  8
21  24  8
23  25  8
24  26  8
25  26  8
4  22  8
4  7  8
6  10  8
6  7  8
6  8  8
7  13  8
8  18  8
9  16  8
9  17  8

$$$$