53301969
  -OEChem-05122415042D

 38 41  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
    6.2902    3.8397    0.0000 O   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
    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   -0.2295    0.0000 N   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    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
    3.5998   -0.5343    0.0000 C   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
    5.3960    2.3120    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
    3.2892   -1.4848    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
    6.2941    2.8397    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
    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
    5.4222    4.3364    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
    4.8555    2.6157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4072    1.6645    0.0000 H   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
    7.7214    0.9611    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
    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
    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
  1 22  1  0  0  0  0
  2 16  1  0  0  0  0
  2 23  1  0  0  0  0
  3 17  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 26  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 13  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 25  1  0  0  0  0
 13 27  1  0  0  0  0
 14 18  2  0  0  0  0
 14 19  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 20  1  0  0  0  0
 18 29  1  0  0  0  0
 19 21  2  0  0  0  0
 19 30  1  0  0  0  0
 20 22  2  0  0  0  0
 20 31  1  0  0  0  0
 21 22  1  0  0  0  0
 21 32  1  0  0  0  0
 23 33  1  0  0  0  0
 23 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
M  END
> <PUBCHEM_COMPOUND_CID>
53301969

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
433

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MQAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFix/gAAHwAYAAAADAzBng4+xvJrFACiAzRnRACSjCAxIiAY+SA+7JgNJuLE8duEtCpmyBnK6Aew0PMOIEABAgACQABAgAIEAASAAAAAAAAAAA==

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

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

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-(4-fluorophenyl)-7,8-dimethoxy-1<I>H</I>-pyrazolo[4,3-c]quinoline

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H14FN3O2/c1-23-15-7-12-14(8-16(15)24-2)20-9-13-17(21-22-18(12)13)10-3-5-11(19)6-4-10/h3-9H,1-2H3,(H,21,22)

> <PUBCHEM_IUPAC_INCHIKEY>
NVZIAESSSOIALA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.5

> <PUBCHEM_EXACT_MASS>
323.10700486

> <PUBCHEM_MOLECULAR_FORMULA>
C18H14FN3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
323.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C=C2C(=C1)C3=C(C=N2)C(=NN3)C4=CC=C(C=C4)F)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C=C2C(=C1)C3=C(C=N2)C(=NN3)C4=CC=C(C=C4)F)OC

> <PUBCHEM_CACTVS_TPSA>
60

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
323.10700486

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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
14  18  8
14  19  8
15  17  8
16  17  8
18  20  8
19  21  8
20  22  8
21  22  8
4  5  8
4  7  8
5  10  8
6  11  8
6  13  8
7  8  8
7  9  8
8  11  8
8  12  8
9  10  8
9  13  8

$$$$