66553420
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7.9253
9.2959
6.6564
4.5124
5.0091
5.3181
6.2962
6.9654
4.015
5.6782
3.7086
6.6028
7.9875
7.62
8.317
7.3255
3.3334
2.6994
2.3191
2
7.2533
9.9622
5.4866
6.1826
8.397
7.7862
7.7403
6.8647
3.5313
2.5152
1.9056
1.3942
6.7942
6.8367
7.7125
10.4245
10.3752
9.4998
-1.9345
-0.4123
1.9319
-0.1366
1.3966
0.4456
0.2377
0.9808
1.3941
2.1398
0.4484
-0.7578
0.78
-0.9822
-0.2081
2.675
2.1736
0.2166
1.9652
0.9802
-2.675
0.3334
2.7294
-1.2137
1.2455
2.2602
3.1358
3.0899
2.7611
-0.3754
2.4272
0.8484
-2.2584
-3.1342
-3.0917
-0.0796
0.7958
0.7465
8
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0
Compound
Canonicalized
5
2012.05.21
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
405
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
3
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.408
Cactvs
xemistry.com
2012.11.26
0
Count
Rotatable Bond
5
E_NROTBONDS
3.408
Cactvs
xemistry.com
2012.11.26
2
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371E07B30000000000000000000000000000001600000003C6080000000000058B1D000001E00000000000C0CC19E063EC6F30C1400A0033467440082882031222008D8203EEC980D26E2C4F1DB84342A66C019CAE807B0D0F30EA0400102000240004080020400048000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
2,3-dimethoxy-5-methyl-indolo[3,2-c]quinoline
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
2,3-dimethoxy-5-methylindolo[3,2-c]quinoline
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
2,3-dimethoxy-5-methylindolo[3,2-c]quinoline
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
2,3-dimethoxy-5-methyl-indolo[3,2-c]quinoline
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
2,3-dimethoxy-5-methyl-indolo[3,2-c]quinoline
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C18H16N2O2/c1-20-10-13-11-6-4-5-7-14(11)19-18(13)12-8-16(21-2)17(22-3)9-15(12)20/h4-10H,1-3H3
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
FGMZQDAXJHRZOT-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.11.26
3.2
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
292.121178
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C18H16N2O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
292.33184
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
CN1C=C2C3=CC=CC=C3N=C2C4=CC(=C(C=C41)OC)OC
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
CN1C=C2C3=CC=CC=C3N=C2C4=CC(=C(C=C41)OC)OC
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
36.3
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
292.121178
22
0
0
0
0
0
0
0
1
1