53245555
  -OEChem-05092401592D

 44 47  0     0  0  0  0  0  0999 V2000
    2.3572   -4.3364    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.0641    2.8156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2902    3.8397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -0.2295    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5998    1.0752    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0162    0.2705    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    0.7705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4121    1.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5460   -0.2295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5460    0.7705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4121   -0.7295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441   -0.7295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5998   -0.5343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1881    1.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3960    2.3120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1961    2.3189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2941    2.8397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2892   -1.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441   -1.7296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3107   -1.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9570   -2.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6464   -3.1796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6678   -3.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4222    4.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4121   -1.3496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7547   -0.8372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3562   -0.1469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7214    0.9611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8555    2.6157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5241   -1.7296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441   -2.3495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7641   -1.7296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8966   -1.2296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5637   -2.1012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3933   -2.7694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0604   -3.6411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6161    1.7765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4639    2.0002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2402    2.8480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7302    4.8745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8841    4.6443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1143    3.7982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  2 16  1  0  0  0  0
  2 25  1  0  0  0  0
  3 17  1  0  0  0  0
  3 26  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  6 13  2  0  0  0  0
  7  8  1  0  0  0  0
  7 14  2  0  0  0  0
  8 10  1  0  0  0  0
  8 15  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 11 27  1  0  0  0  0
 12 19  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 18  1  0  0  0  0
 14 16  1  0  0  0  0
 14 30  1  0  0  0  0
 15 17  1  0  0  0  0
 15 31  1  0  0  0  0
 16 17  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
 20 22  1  0  0  0  0
 20 35  1  0  0  0  0
 21 23  2  0  0  0  0
 21 36  1  0  0  0  0
 22 24  2  0  0  0  0
 22 37  1  0  0  0  0
 23 24  1  0  0  0  0
 23 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
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53245555

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
474

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MQAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFix0AAAHwAIAAAADAzBng4+xvMMFACiAzRnRACSjCAxIiAY2CA+7JgNJuLE8duEtCpmyBnK6Aew0PMOIEABAgACQABAgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-ethyl-3-(4-fluorophenyl)-7,8-dimethoxy-pyrazolo[4,3-c]quinoline

> <PUBCHEM_IUPAC_CAS_NAME>
5-ethyl-3-(4-fluorophenyl)-7,8-dimethoxypyrazolo[4,3-c]quinoline

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-ethyl-3-(4-fluorophenyl)-7,8-dimethoxypyrazolo[4,3-c]quinoline

> <PUBCHEM_IUPAC_NAME>
5-ethyl-3-(4-fluorophenyl)-7,8-dimethoxypyrazolo[4,3-c]quinoline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-ethyl-3-(4-fluorophenyl)-7,8-dimethoxy-pyrazolo[4,3-c]quinoline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-ethyl-3-(4-fluorophenyl)-7,8-dimethoxy-pyrazolo[4,3-c]quinoline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H18FN3O2/c1-4-24-11-15-19(12-5-7-13(21)8-6-12)22-23-20(15)14-9-17(25-2)18(26-3)10-16(14)24/h5-11H,4H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
IETDKMWKRYTQJG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.9

> <PUBCHEM_EXACT_MASS>
351.13830499

> <PUBCHEM_MOLECULAR_FORMULA>
C20H18FN3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
351.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCN1C=C2C(=NN=C2C3=CC(=C(C=C31)OC)OC)C4=CC=C(C=C4)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCN1C=C2C(=NN=C2C3=CC(=C(C=C31)OC)OC)C4=CC=C(C=C4)F

> <PUBCHEM_CACTVS_TPSA>
49.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
351.13830499

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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>
14  16  8
15  17  8
16  17  8
18  20  8
18  21  8
20  22  8
21  23  8
22  24  8
23  24  8
4  11  8
4  7  8
5  10  8
5  6  8
6  13  8
7  14  8
7  8  8
8  10  8
8  15  8
9  11  8
9  13  8

$$$$