70698654
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7.1295
6.2514
9.2514
8.2514
5.3853
7.1174
3.8555
5.3853
6.2514
6.2514
4.4391
7.1174
6.7514
4.4391
3.6949
6.2353
7.7514
6.2514
8.0274
6.7514
8.2514
7.1333
8.0354
7.7514
3.901
2.7443
3.1567
2
2.2062
6.7514
9.7514
9.2514
4.2465
5.6948
8.0614
5.6314
8.5607
8.5735
4.4904
2.6164
3.2846
1.4107
1.7448
6.2145
7.0614
7.2883
10.2883
10.0614
9.2144
9.2513
9.8714
9.2514
4.4497
-3.5837
-1.8516
-3.5836
1.3804
0.3804
0.8804
0.3804
-0.1196
1.8804
0.0757
1.3804
-0.9855
1.6852
-0.5922
2.9219
-0.9856
-1.8516
1.8873
-2.7176
-1.8516
3.4497
2.9289
-2.7176
-1.5707
-0.2815
-2.2385
-0.9493
-1.9279
-4.4497
-0.9856
-3.5837
2.2745
3.2257
-0.4487
-1.8516
1.5711
3.2368
-1.7633
0.3252
-2.8452
-0.7567
-2.342
-4.7597
-4.9866
-4.1397
-1.2956
-0.4487
-0.6756
-4.2037
-3.5837
-2.9637
8
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0
Compound
Canonicalized
5
2012.11.26
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
607
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
5
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
5
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371E07B30000010000000000000000000000001600000003C60C1000000000058B1F400001E0040000001AC0C819E0637D6B70C1C00A0032463640082882D3132A409D8203EFCB88D6FE2C4F9DB94342A6DC017CAEA37B0F0FF0E20002108010040204000421002008040000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
8-bromo-3-phenyl-4-(3,4,5-trimethoxyphenyl)imidazo[1,5-a]quinoxaline
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
8-bromo-3-phenyl-4-(3,4,5-trimethoxyphenyl)imidazo[1,5-a]quinoxaline
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
8-bromo-3-phenyl-4-(3,4,5-trimethoxyphenyl)imidazo[1,5-a]quinoxaline
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
8-bromanyl-3-phenyl-4-(3,4,5-trimethoxyphenyl)imidazo[1,5-a]quinoxaline
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
8-bromo-3-phenyl-4-(3,4,5-trimethoxyphenyl)imidazo[1,5-a]quinoxaline
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C25H20BrN3O3/c1-30-20-11-16(12-21(31-2)25(20)32-3)23-24-22(15-7-5-4-6-8-15)27-14-29(24)19-13-17(26)9-10-18(19)28-23/h4-14H,1-3H3
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
HBTRQAHYISIPDW-UHFFFAOYSA-N
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
489.068804
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C25H20BrN3O3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
490.3486
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
COC1=CC(=CC(=C1OC)OC)C2=NC3=C(C=C(C=C3)Br)N4C2=C(N=C4)C5=CC=CC=C5
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
COC1=CC(=CC(=C1OC)OC)C2=NC3=C(C=C(C=C3)Br)N4C2=C(N=C4)C5=CC=CC=C5
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
57.9
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
489.068804
32
0
0
0
0
0
0
0
1
1