66553422
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
8
8
7
7
6
6
6
6
6
6
6
6
6
6
6
6
6
6
6
6
6
6
6
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
2
2
3
3
3
4
4
5
5
5
6
7
7
8
9
9
10
11
12
12
13
13
14
14
15
15
16
18
18
18
19
19
20
21
21
21
22
22
22
23
23
23
16
22
17
23
8
10
18
6
11
6
9
10
7
8
12
13
11
14
24
15
16
25
17
26
20
27
19
28
17
29
30
31
20
21
32
33
34
35
36
37
38
39
40
41
1
1
1
1
1
1
1
2
1
1
1
2
1
1
2
2
2
1
1
1
1
1
1
1
2
1
2
1
2
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
5
255
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
8.9025
10.2731
7.6335
5.4895
5.9862
6.2952
7.2734
7.9425
4.9922
6.6554
4.6858
7.58
8.9646
4.3106
3.6766
8.5971
9.2941
8.3026
2.9772
3.2963
2
8.2305
10.9393
6.4638
7.1598
9.3741
4.5084
3.4923
8.7634
8.7175
7.8419
2.8828
1.8682
1.3942
2.1318
7.7714
7.8139
8.6896
11.4017
11.3524
10.477
-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
2.1736
0.2166
-0.9822
-0.2081
2.675
0.9802
1.9652
0.7676
-2.675
0.3334
2.7294
-1.2137
1.2455
2.7611
-0.3754
2.2602
3.1358
3.0899
2.4272
1.3735
0.6359
0.1618
-2.2584
-3.1342
-3.0917
-0.0796
0.7958
0.7465
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
3
3
4
4
5
5
6
7
7
8
9
9
11
12
13
14
15
16
19
8
10
6
11
9
10
7
8
12
13
11
14
15
16
17
20
19
17
20
0
Compound
Canonicalized
5
2012.05.21
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
432
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
00000371E07B30000000000000000000000000000001600000003C6080000000000058B1D000001E00000000000C0CC19E063EC6F30C1400A0033467440082882031222008D8203EEC980D26E2C4F1DB84342A66C019CAE807B0D0F30EE040014200024000C080028400048000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
2,3-dimethoxy-5,9-dimethyl-indolo[3,2-c]quinoline
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
2,3-dimethoxy-5,9-dimethylindolo[3,2-c]quinoline
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
2,3-dimethoxy-5,9-dimethylindolo[3,2-c]quinoline
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
2,3-dimethoxy-5,9-dimethyl-indolo[3,2-c]quinoline
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
2,3-dimethoxy-5,9-dimethyl-indolo[3,2-c]quinoline
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C19H18N2O2/c1-11-5-6-12-14-10-21(2)16-9-18(23-4)17(22-3)8-13(16)19(14)20-15(12)7-11/h5-10H,1-4H3
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
ULCOAWJFYXOFHO-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.11.26
3.6
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
306.136828
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C19H18N2O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
306.35842
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
CC1=CC2=C(C=C1)C3=CN(C4=CC(=C(C=C4C3=N2)OC)OC)C
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
CC1=CC2=C(C=C1)C3=CN(C4=CC(=C(C=C4C3=N2)OC)OC)C
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
306.136828
23
0
0
0
0
0
0
0
1
1