3-(4-chlorophenyl)-6-methyl-1-(4-methylphenyl)imidazo[4,5-b]quinoxalin-2-one

C23H17ClN4O — CID 44517022

IUPAC3-(4-chlorophenyl)-6-methyl-1-(4-methylphenyl)imidazo[4,5-b]quinoxalin-2-one
SMILESCc1ccc(-n2c(=O)n(-c3ccc(Cl)cc3)c3nc4cc(C)ccc4nc32)cc1
InChIInChI=1S/C23H17ClN4O/c1-14-3-8-17(9-4-14)27-21-22(26-20-13-15(2)5-12-19(20)25-21)28(23(27)29)18-10-6-16(24)7-11-18/h3-13H,1-2H3
InChIKeyQYWPHWDEILHPCQ-UHFFFAOYSA-N
MW400.87 g/mol
LogP4.99
Rot. Bonds2

About 3-(4-chlorophenyl)-6-methyl-1-(4-methylphenyl)imidazo[4,5-b]quinoxalin-2-one

3-(4-chlorophenyl)-6-methyl-1-(4-methylphenyl)imidazo[4,5-b]quinoxalin-2-one (PubChem CID 44517022) has the molecular formula C23H17ClN4O and a molecular weight of 400.87 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6-methyl-1-(4-methylphenyl)imidazo[4,5-b]quinoxalin-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6-methyl-1-(4-methylphenyl)imidazo[4,5-b]quinoxalin-2-one
PubChem CID44517022
Molecular FormulaC23H17ClN4O
Molecular Weight400.87 g/mol
Exact Mass400.11
IUPAC Name3-(4-chlorophenyl)-6-methyl-1-(4-methylphenyl)imidazo[4,5-b]quinoxalin-2-one
SMILESCc1ccc(-n2c(=O)n(-c3ccc(Cl)cc3)c3nc4cc(C)ccc4nc32)cc1
InChIInChI=1S/C23H17ClN4O/c1-14-3-8-17(9-4-14)27-21-22(26-20-13-15(2)5-12-19(20)25-21)28(23(27)29)18-10-6-16(24)7-11-18/h3-13H,1-2H3
InChIKeyQYWPHWDEILHPCQ-UHFFFAOYSA-N
XLogP4.99
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-Chlorophenyl)-4-{8-methyl-[1,2,3,4]tetrazolo[1,5-A]quinoxalin-4-YL}piperazine
CID 16022232
1-[1-(4-Chloro-phenyl)-1H-benzoimidazol-2-yl]-3-(2,6-diisopropyl-phenyl)-urea
CID 44297128
N~2~,N~3~-bis(3-chloro-4-methylphenyl)-2,3-quinoxalinediamine
CID 46307210
1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)imidazo[4,5-b]quinoxalin-2-one
CID 44517354
2H-Benzimidazol-2-one, 1,3-dihydro-5-chloro-1-methyl-3-(2-quinolinyl)-
CID 3021490
2-chloro-12H-benzimidazolo[1,2-c]quinazolin-6-one
CID 135443886
1-[4-(1-Benzyl-5-chlorobenzimidazol-2-yl)piperazin-1-yl]ethanone
CID 172451803
1-(4-Chlorophenyl)-2-phenylbenzimidazole
CID 15263128
1-(4-Chlorophenyl)-4-[8-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]piperazin-2-one
CID 155406546
(e)-1-(4-Chlorophenyl)-2-styryl-1h-benzo[d]imidazole
CID 11702687
6-Methyl-4-(4-methylphenyl)-2-phenylimidazo[4,5-b]quinoxaline
CID 102160381
1-(4-Chlorophenyl)-6-methyl-2-phenylbenzimidazole
CID 139242212

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6-methyl-1-(4-methylphenyl)imidazo[4,5-b]quinoxalin-2-one?
The IUPAC name of 3-(4-chlorophenyl)-6-methyl-1-(4-methylphenyl)imidazo[4,5-b]quinoxalin-2-one (CID 44517022) is 3-(4-chlorophenyl)-6-methyl-1-(4-methylphenyl)imidazo[4,5-b]quinoxalin-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-6-methyl-1-(4-methylphenyl)imidazo[4,5-b]quinoxalin-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-6-methyl-1-(4-methylphenyl)imidazo[4,5-b]quinoxalin-2-one is Cc1ccc(-n2c(=O)n(-c3ccc(Cl)cc3)c3nc4cc(C)ccc4nc32)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-6-methyl-1-(4-methylphenyl)imidazo[4,5-b]quinoxalin-2-one?
The InChIKey is QYWPHWDEILHPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4O/c1-14-3-8-17(9-4-14)27-21-22(26-20-13-15(2)5-12-19(20)25-21)28(23(27)29)18-10-6-16(24)7-11-18/h3-13H,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-6-methyl-1-(4-methylphenyl)imidazo[4,5-b]quinoxalin-2-one?
3-(4-chlorophenyl)-6-methyl-1-(4-methylphenyl)imidazo[4,5-b]quinoxalin-2-one has a molecular weight of 400.87 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6-methyl-1-(4-methylphenyl)imidazo[4,5-b]quinoxalin-2-one is sourced from PubChem (CID 44517022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).