53337405
  -OEChem-05142401292D

 44 47  0     0  0  0  0  0  0999 V2000
    7.2687    3.8397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0426    2.8156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5783    1.0752    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9947    0.2705    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566   -0.2295    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5246    0.7705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5246   -0.2295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3906    1.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5783   -0.5343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2677   -1.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566    0.7705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3906   -0.7295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3745    2.3120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2892   -1.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9785   -2.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1666    1.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9355   -2.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2726    2.8397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6464   -3.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1746    2.3189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6249   -3.1796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3357   -4.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4008    4.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9067    2.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3857    1.6645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3906   -1.3496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8340    2.6157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8751   -1.2296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6999    0.9611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5422   -2.1012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0389   -3.6411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8721   -2.2411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3933   -2.9756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1279   -3.4544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7464   -4.1438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1431   -4.9257    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9250   -4.5290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7087    4.8745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    4.6443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0928    3.7982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5946    1.7765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4424    2.0002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2187    2.8480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 24  1  0  0  0  0
  2 20  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 26  1  0  0  0  0
  4  9  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  1  0  0  0  0
 10 14  2  0  0  0  0
 10 17  1  0  0  0  0
 11 16  2  0  0  0  0
 12 27  1  0  0  0  0
 13 18  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
 14 29  1  0  0  0  0
 15 19  2  0  0  0  0
 15 22  1  0  0  0  0
 16 20  1  0  0  0  0
 16 30  1  0  0  0  0
 17 21  2  0  0  0  0
 17 31  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 23  1  0  0  0  0
 21 32  1  0  0  0  0
 22 33  1  0  0  0  0
 22 34  1  0  0  0  0
 22 35  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
 23 38  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53337405

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
462

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFix/gAAHgAYAAAADAzBngY+xvJrFACiAzRnRACSjCAxIiAY+SA+7JgNJuLE8duEtCpmyBnK6Aew0PMO4EADAgASQADAgAYEACSAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H19N3O2/c1-11-5-6-13(7-12(11)2)19-15-10-21-16-9-18(25-4)17(24-3)8-14(16)20(15)23-22-19/h5-10H,1-4H3,(H,22,23)

> <PUBCHEM_IUPAC_INCHIKEY>
RHGQVRRZSPCHJT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.2

> <PUBCHEM_EXACT_MASS>
333.147726857

> <PUBCHEM_MOLECULAR_FORMULA>
C20H19N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
333.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C=C(C=C1)C2=NNC3=C2C=NC4=CC(=C(C=C43)OC)OC)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C=C(C=C1)C2=NNC3=C2C=NC4=CC(=C(C=C43)OC)OC)C

> <PUBCHEM_CACTVS_TPSA>
60

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
333.147726857

> <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>
10  14  8
10  17  8
11  16  8
13  18  8
14  15  8
15  19  8
16  20  8
17  21  8
18  20  8
19  21  8
3  4  8
3  6  8
4  9  8
5  11  8
5  12  8
6  7  8
6  8  8
7  12  8
7  9  8
8  11  8
8  13  8

$$$$