67265212
  -OEChem-05092412122D

 46 49  0     0  0  0  0  0  0999 V2000
    9.8220    1.0274    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0785    2.0074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901   -1.0619    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.9728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    1.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9387    2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8105    2.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9271    3.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.9728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6707    2.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7873    4.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6591    3.5373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.6472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -2.6098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -1.9196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319    0.8056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319   -0.8601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.8372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.6472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.2172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3867    3.8210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.8372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181    1.9728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781    1.9728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2111    2.2336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7802    4.6472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1924    3.8535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2  8  1  0  0  0  0
  2 13  1  0  0  0  0
  3 11  1  0  0  0  0
  3 17  1  0  0  0  0
  4 10  1  0  0  0  0
  4 25  1  0  0  0  0
  5  7  2  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 10  2  0  0  0  0
  9 29  1  0  0  0  0
 11 14  1  0  0  0  0
 12 30  1  0  0  0  0
 13 15  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 16  2  0  0  0  0
 14 33  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 34  1  0  0  0  0
 17 22  1  0  0  0  0
 17 23  2  0  0  0  0
 18 20  1  0  0  0  0
 18 35  1  0  0  0  0
 19 21  2  0  0  0  0
 19 36  1  0  0  0  0
 20 24  2  0  0  0  0
 20 37  1  0  0  0  0
 21 24  1  0  0  0  0
 21 38  1  0  0  0  0
 22 26  2  0  0  0  0
 23 27  1  0  0  0  0
 23 39  1  0  0  0  0
 24 40  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
 26 28  1  0  0  0  0
 26 44  1  0  0  0  0
 27 28  2  0  0  0  0
 27 45  1  0  0  0  0
 28 46  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
67265212

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
473

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6MQAAAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAACx9AAAHwAAAAAADAzhng4+xvIIFACgAzRnRACCiCAxIiAI2CA+7JgNJuLEsZuGOCrmwBnK6Afw8L8OIEABAgACQABAgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
7-benzyloxy-4-(2-fluorophenoxy)-6-methoxy-quinoline

> <PUBCHEM_IUPAC_CAS_NAME>
4-(2-fluorophenoxy)-6-methoxy-7-phenylmethoxyquinoline

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-(2-fluorophenoxy)-6-methoxy-7-phenylmethoxyquinoline

> <PUBCHEM_IUPAC_NAME>
4-(2-fluorophenoxy)-6-methoxy-7-phenylmethoxyquinoline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-(2-fluoranylphenoxy)-6-methoxy-7-phenylmethoxy-quinoline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
7-benzoxy-4-(2-fluorophenoxy)-6-methoxy-quinoline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H18FNO3/c1-26-22-13-17-19(14-23(22)27-15-16-7-3-2-4-8-16)25-12-11-20(17)28-21-10-6-5-9-18(21)24/h2-14H,15H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
WXZNREYGQRPYAT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.3

> <PUBCHEM_EXACT_MASS>
375.12707160

> <PUBCHEM_MOLECULAR_FORMULA>
C23H18FNO3

> <PUBCHEM_MOLECULAR_WEIGHT>
375.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC2=C(C=CN=C2C=C1OCC3=CC=CC=C3)OC4=CC=CC=C4F

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC2=C(C=CN=C2C=C1OCC3=CC=CC=C3)OC4=CC=CC=C4F

> <PUBCHEM_CACTVS_TPSA>
40.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
375.12707160

> <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>
11  14  8
14  16  8
15  18  8
15  19  8
17  22  8
17  23  8
18  20  8
19  21  8
20  24  8
21  24  8
22  26  8
23  27  8
26  28  8
27  28  8
5  16  8
5  7  8
6  11  8
6  7  8
6  9  8
7  12  8
8  10  8
8  12  8
9  10  8

$$$$