56592260
  -OEChem-05211311402D

 41 44  0     0  0  0  0  0  0999 V2000
    2.0000    0.0585    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6474    2.4106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4213    1.3864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9570   -1.9634    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3734   -1.1587    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6353   -1.6587    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9032   -0.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7693   -0.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9032   -1.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9570   -0.3539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6353   -0.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7532    0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6464    0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7693   -2.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5453   -0.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6512    1.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5533    0.8898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6464   -2.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6678    0.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3142    1.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3572    1.7533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0035    2.2914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250    2.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5115    2.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2854    0.8831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2127    1.1866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7693   -2.7787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0786   -0.4680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0570   -2.7213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4537   -3.5032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2357   -3.1065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9209    1.2130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7505    1.8812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4176    2.7529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8324    3.0870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8235    2.3782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0472    3.2260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1994    3.4497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9733    0.3474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8211    0.5710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5974    1.4188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 16  1  0  0  0  0
  2 24  1  0  0  0  0
  3 17  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 18  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 14  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 14  1  0  0  0  0
 10 13  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 26  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  2  0  0  0  0
 14 27  1  0  0  0  0
 15 17  1  0  0  0  0
 15 28  1  0  0  0  0
 16 17  2  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 32  1  0  0  0  0
 21 23  1  0  0  0  0
 21 33  1  0  0  0  0
 22 23  2  0  0  0  0
 22 34  1  0  0  0  0
 23 35  1  0  0  0  0
 24 36  1  0  0  0  0
 24 37  1  0  0  0  0
 24 38  1  0  0  0  0
 25 39  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56592260

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
468

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MQAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFix/gAAHwAIAAAADAzBng4+xvIIFACiAzRnRACSjCQxsiAY2CA+/JgNZuLE8duUtCpmyBnK6Aew0PMOoEABAgACQABAgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(2-fluorophenyl)-7,8-dimethoxy-3-methyl-pyrazolo[3,4-c]quinoline

> <PUBCHEM_IUPAC_CAS_NAME>
1-(2-fluorophenyl)-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline

> <PUBCHEM_IUPAC_NAME>
1-(2-fluorophenyl)-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(2-fluorophenyl)-7,8-dimethoxy-3-methyl-pyrazolo[3,4-c]quinoline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(2-fluorophenyl)-7,8-dimethoxy-3-methyl-pyrazolo[3,4-c]quinoline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H16FN3O2/c1-23-15-10-21-14-9-17(25-3)16(24-2)8-12(14)18(15)19(22-23)11-6-4-5-7-13(11)20/h4-10H,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
UKHUNEONKVZNBJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.5

> <PUBCHEM_EXACT_MASS>
337.122655

> <PUBCHEM_MOLECULAR_FORMULA>
C19H16FN3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
337.347643

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C2=C(C3=CC(=C(C=C3N=C2)OC)OC)C(=N1)C4=CC=CC=C4F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C2=C(C3=CC(=C(C=C3N=C2)OC)OC)C(=N1)C4=CC=CC=C4F

> <PUBCHEM_CACTVS_TPSA>
49.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
337.122655

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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  15  8
12  16  8
13  19  8
13  20  8
15  17  8
16  17  8
19  21  8
20  22  8
21  23  8
22  23  8
4  5  8
4  9  8
5  10  8
6  11  8
6  14  8
7  10  8
7  8  8
7  9  8
8  11  8
8  12  8
9  14  8

$$$$