1-(4-bromophenyl)-3-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazo[1,5-a]quinoxaline

C29H19BrClN3O — CID 132523151

IUPAC1-(4-bromophenyl)-3-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazo[1,5-a]quinoxaline
SMILESCOc1ccc(-c2nc3ccccc3n3c(-c4ccc(Br)cc4)nc(-c4ccc(Cl)cc4)c23)cc1
InChIInChI=1S/C29H19BrClN3O/c1-35-23-16-10-19(11-17-23)26-28-27(18-8-14-22(31)15-9-18)33-29(20-6-12-21(30)13-7-20)34(28)25-5-3-2-4-24(25)32-26/h2-17H,1H3
InChIKeySIEUMUVHPNMMAV-UHFFFAOYSA-N
MW540.85 g/mol
LogP8.31
Rot. Bonds4

About 1-(4-bromophenyl)-3-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazo[1,5-a]quinoxaline

1-(4-bromophenyl)-3-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazo[1,5-a]quinoxaline (PubChem CID 132523151) has the molecular formula C29H19BrClN3O and a molecular weight of 540.85 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazo[1,5-a]quinoxaline.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazo[1,5-a]quinoxaline
PubChem CID132523151
Molecular FormulaC29H19BrClN3O
Molecular Weight540.85 g/mol
Exact Mass539.04
IUPAC Name1-(4-bromophenyl)-3-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazo[1,5-a]quinoxaline
SMILESCOc1ccc(-c2nc3ccccc3n3c(-c4ccc(Br)cc4)nc(-c4ccc(Cl)cc4)c23)cc1
InChIInChI=1S/C29H19BrClN3O/c1-35-23-16-10-19(11-17-23)26-28-27(18-8-14-22(31)15-9-18)33-29(20-6-12-21(30)13-7-20)34(28)25-5-3-2-4-24(25)32-26/h2-17H,1H3
InChIKeySIEUMUVHPNMMAV-UHFFFAOYSA-N
XLogP8.31
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.85
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-2-(4-methoxyphenyl)benzimidazole
CID 19353947
1-(4-bromophenyl)-2-(4-methoxyphenyl)benzimidazole
CID 134817006
4-(4-bromophenyl)-1-ethyl-3-methylimidazo[1,5-a]quinoxaline
CID 102501781
2,4-dibromo-6-(4-chlorophenyl)benzimidazolo[1,2-c]quinazoline
CID 15851206
6-(4-methoxyphenyl)benzimidazolo[1,2-c]quinazoline
CID 12826322
4-[(E)-2-(4-chlorophenyl)ethenyl]-1-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 42599954
2-(4-bromophenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 17001216
3-(4-bromophenyl)-1-methylquinoxalin-2-one
CID 132610080
1-(4-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 11580142
17-(4-methoxyphenyl)-12,14-dimethyl-9-(4-methylphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione
CID 5014912
2-[2-(4-bromophenyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 17033250
2,5-bis(4-chlorophenyl)-4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]imidazole
CID 3732902

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazo[1,5-a]quinoxaline?
The IUPAC name of 1-(4-bromophenyl)-3-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazo[1,5-a]quinoxaline (CID 132523151) is 1-(4-bromophenyl)-3-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazo[1,5-a]quinoxaline.
What is the SMILES notation for 1-(4-bromophenyl)-3-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazo[1,5-a]quinoxaline?
The canonical SMILES for 1-(4-bromophenyl)-3-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazo[1,5-a]quinoxaline is COc1ccc(-c2nc3ccccc3n3c(-c4ccc(Br)cc4)nc(-c4ccc(Cl)cc4)c23)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazo[1,5-a]quinoxaline?
The InChIKey is SIEUMUVHPNMMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19BrClN3O/c1-35-23-16-10-19(11-17-23)26-28-27(18-8-14-22(31)15-9-18)33-29(20-6-12-21(30)13-7-20)34(28)25-5-3-2-4-24(25)32-26/h2-17H,1H3.
What are the key properties of 1-(4-bromophenyl)-3-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazo[1,5-a]quinoxaline?
1-(4-bromophenyl)-3-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazo[1,5-a]quinoxaline has a molecular weight of 540.85 g/mol, XLogP of 8.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(4-chlorophenyl)-4-(4-methoxyphenyl)imidazo[1,5-a]quinoxaline is sourced from PubChem (CID 132523151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).