53337405
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255
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7.2687
9.0426
4.5783
3.9947
7.2566
5.5246
5.5246
6.3906
4.5783
4.2677
7.2566
6.3906
6.3745
3.2892
2.9785
8.1666
4.9355
7.2726
3.6464
8.1746
4.6249
2
3.3357
6.4008
9.9067
4.3857
6.3906
5.834
2.8751
8.6999
5.5422
5.0389
1.8721
1.3933
2.1279
2.7464
3.1431
3.925
6.7087
5.8626
6.0928
9.5946
10.4424
10.2187
3.8397
2.8156
1.0752
0.2705
-0.2295
0.7705
-0.2295
1.2704
-0.5343
-1.4848
0.7705
-0.7295
2.312
-1.691
-2.6415
1.2773
-2.2291
2.8397
-3.3858
2.3189
-3.1796
-2.8478
-4.3364
4.3364
2.3122
1.6645
-1.3496
2.6157
-1.2296
0.9611
-2.1012
-3.6411
-2.2411
-2.9756
-3.4544
-4.1438
-4.9257
-4.529
4.8745
4.6443
3.7982
1.7765
2.0002
2.848
8
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8
8
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0
Compound
Canonicalized
5
2011.06.29
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
462
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
1
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
3
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E07B30000000000000000000000000000001600000003C6080000000000058B1FE00001E00180000000C0CC19E063EC6F26B1400A20334674400928C2031222018F9203EEC980D26E2C4F1DB84B42A66C819CAE807B0D0F30EE040030200124000C080060400248000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-(3,4-dimethylphenyl)-7,8-dimethoxy-1H-pyrazolo[4,3-c]quinoline
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-(3,4-dimethylphenyl)-7,8-dimethoxy-1H-pyrazolo[4,3-c]quinoline
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-(3,4-dimethylphenyl)-7,8-dimethoxy-1H-pyrazolo[4,3-c]quinoline
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-(3,4-dimethylphenyl)-7,8-dimethoxy-1H-pyrazolo[4,3-c]quinoline
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-(3,4-dimethylphenyl)-7,8-dimethoxy-1H-pyrazolo[4,3-c]quinoline
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
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)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
RHGQVRRZSPCHJT-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
4.2
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
333.147727
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C20H19N3O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
333.38376
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CC1=C(C=C(C=C1)C2=NNC3=C2C=NC4=CC(=C(C=C43)OC)OC)C
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CC1=C(C=C(C=C1)C2=NNC3=C2C=NC4=CC(=C(C=C43)OC)OC)C
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
60
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
333.147727
25
0
0
0
0
0
0
0
1
3