70698652
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
42
43
44
45
46
47
48
8
8
7
7
7
6
6
6
6
6
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
1
2
2
3
3
3
4
4
5
5
6
6
7
7
8
9
10
11
12
12
13
13
14
14
15
15
16
17
18
18
19
19
20
20
21
21
22
22
23
23
25
25
26
26
27
28
28
28
29
29
29
16
28
24
29
6
7
11
8
10
9
11
8
9
10
14
12
13
15
30
18
19
20
21
17
31
16
32
17
33
22
34
23
35
25
36
26
37
24
38
24
39
27
40
27
41
42
43
44
45
46
47
48
1
1
1
1
1
1
1
2
1
1
2
1
2
2
1
1
1
1
1
2
1
2
1
2
1
2
1
1
1
1
1
2
1
1
1
2
1
2
1
1
1
2
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
42
43
44
45
46
47
48
8.9034
8.2514
5.3853
7.1174
3.8555
5.3853
6.2514
6.2514
4.4391
7.1174
4.4391
6.7514
3.6949
6.2353
8.0274
8.0354
7.1333
6.2514
7.7514
2.7443
3.901
6.7514
8.2514
7.7514
2
3.1567
2.2062
8.9072
9.2514
4.2465
5.6948
8.5607
7.131
5.6314
8.0614
2.6164
4.4904
6.4414
8.8714
1.4107
3.2846
1.7448
9.5272
8.9096
8.2872
9.2513
9.8714
9.2514
3.0046
-4.0046
0.9595
-0.0405
0.4595
-0.0405
1.4595
-0.5405
-0.3452
0.9595
1.2642
-1.4065
-1.0131
2.501
1.4664
2.508
3.0288
-2.2726
-1.4065
-0.7024
-1.9916
-3.1386
-2.2726
-3.1385
-1.3703
-2.6594
-2.3488
4.0046
-4.0046
1.8536
2.8048
1.1502
3.6488
-2.2726
-0.8696
-0.0957
-2.1842
-3.6755
-2.2725
-1.1777
-3.2661
-2.7629
4.0022
4.6246
4.007
-4.6246
-4.0046
-3.3846
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
3
3
3
4
4
5
5
6
6
7
7
10
12
12
13
13
14
15
16
18
19
20
21
22
23
25
26
6
7
11
8
10
9
11
8
9
10
14
15
18
19
20
21
17
16
17
22
23
25
26
24
24
27
27
0
Compound
Canonicalized
5
2012.11.26
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
532
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
4
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
4
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371E07B30000000000000000000000000000001600000003C60C1000000000058B1F400001E00000000000C0C819E0637D6B70C1C00A0032463640082882D3132A009D8203E7C988C6EE2C4F9DB9434286EC01BC8E827B0D0E30E20400002000000204080000400000040000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
7-methoxy-4-(4-methoxyphenyl)-3-phenyl-imidazo[1,5-a]quinoxaline
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
7-methoxy-4-(4-methoxyphenyl)-3-phenylimidazo[1,5-a]quinoxaline
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
7-methoxy-4-(4-methoxyphenyl)-3-phenylimidazo[1,5-a]quinoxaline
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
7-methoxy-4-(4-methoxyphenyl)-3-phenyl-imidazo[1,5-a]quinoxaline
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
7-methoxy-4-(4-methoxyphenyl)-3-phenyl-imidazo[1,5-a]quinoxaline
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C24H19N3O2/c1-28-18-10-8-17(9-11-18)23-24-22(16-6-4-3-5-7-16)25-15-27(24)21-13-12-19(29-2)14-20(21)26-23/h3-15H,1-2H3
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
BHOSEROLTLGXDJ-UHFFFAOYSA-N
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
381.147727
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C24H19N3O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
381.42656
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
COC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)OC)N4C2=C(N=C4)C5=CC=CC=C5
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
COC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)OC)N4C2=C(N=C4)C5=CC=CC=C5
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
48.6
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
381.147727
29
0
0
0
0
0
0
0
1
1