69359322
  -OEChem-04232406262D

 39 41  0     0  0  0  0  0  0999 V2000
    5.4573    3.0072    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4804    1.0074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920   -2.0619    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4920    0.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3406    1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.5064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2124    1.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3291    2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0726    1.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2240    0.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1893    3.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0610    2.5373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338   -0.1944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338   -1.8601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6131    1.2336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6040    0.0203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2311   -0.5925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8439    0.0346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1821    3.6472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5943    2.8535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    0.9728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    0.9728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -3.0272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.6472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -3.0272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2  8  1  0  0  0  0
  2 13  1  0  0  0  0
  3 10  1  0  0  0  0
  3 22  1  0  0  0  0
  4 12  1  0  0  0  0
  4 23  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  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 15  2  0  0  0  0
 13 17  1  0  0  0  0
 14 16  2  0  0  0  0
 14 26  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 27  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  2  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
 19 30  1  0  0  0  0
 19 31  1  0  0  0  0
 20 21  1  0  0  0  0
 20 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 37  1  0  0  0  0
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69359322

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
383

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6MQAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx9AAAHwAAAAAADAzBng4+xvIIFACgAzRnRACCiCAxIiAI2CA+7JgNJuLEsZuGOCrmwBnK6Afw8L8OIEABAgAKQABAgAIEABSAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-(2-fluoro-6-methyl-phenoxy)-6,7-dimethoxy-quinoline

> <PUBCHEM_IUPAC_CAS_NAME>
4-(2-fluoro-6-methylphenoxy)-6,7-dimethoxyquinoline

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-(2-fluoro-6-methylphenoxy)-6,7-dimethoxyquinoline

> <PUBCHEM_IUPAC_NAME>
4-(2-fluoro-6-methylphenoxy)-6,7-dimethoxyquinoline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-(2-fluoranyl-6-methyl-phenoxy)-6,7-dimethoxy-quinoline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-(2-fluoro-6-methyl-phenoxy)-6,7-dimethoxy-quinoline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H16FNO3/c1-11-5-4-6-13(19)18(11)23-15-7-8-20-14-10-17(22-3)16(21-2)9-12(14)15/h4-10H,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
IQAQUHCHAYVONO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.1

> <PUBCHEM_EXACT_MASS>
313.11142153

> <PUBCHEM_MOLECULAR_FORMULA>
C18H16FNO3

> <PUBCHEM_MOLECULAR_WEIGHT>
313.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C(=CC=C1)F)OC2=C3C=C(C(=CC3=NC=C2)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C(=CC=C1)F)OC2=C3C=C(C(=CC3=NC=C2)OC)OC

> <PUBCHEM_CACTVS_TPSA>
40.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
313.11142153

> <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  15  8
13  17  8
14  16  8
15  18  8
17  20  8
18  21  8
20  21  8
5  16  8
5  7  8
6  7  8
6  8  8
6  9  8
7  11  8
8  14  8
9  10  8

$$$$