1-[3-[3-(4-ethoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxalin-1-yl]phenyl]ethanone

C25H22N4O4S — CID 2116911

IUPAC1-[3-[3-(4-ethoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxalin-1-yl]phenyl]ethanone
SMILESCCOc1ccc(S(=O)(=O)N2CN(c3cccc(C(C)=O)c3)c3nc4ccccc4nc32)cc1
InChIInChI=1S/C25H22N4O4S/c1-3-33-20-11-13-21(14-12-20)34(31,32)29-16-28(19-8-6-7-18(15-19)17(2)30)24-25(29)27-23-10-5-4-9-22(23)26-24/h4-15H,3,16H2,1-2H3
InChIKeyXAOLSYXUSLMLBY-UHFFFAOYSA-N
MW474.54 g/mol
LogP4.54
Rot. Bonds6

About 1-[3-[3-(4-ethoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxalin-1-yl]phenyl]ethanone

1-[3-[3-(4-ethoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxalin-1-yl]phenyl]ethanone (PubChem CID 2116911) has the molecular formula C25H22N4O4S and a molecular weight of 474.54 g/mol. Its IUPAC name is 1-[3-[3-(4-ethoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxalin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[3-(4-ethoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxalin-1-yl]phenyl]ethanone
PubChem CID2116911
Molecular FormulaC25H22N4O4S
Molecular Weight474.54 g/mol
Exact Mass474.14
IUPAC Name1-[3-[3-(4-ethoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxalin-1-yl]phenyl]ethanone
SMILESCCOc1ccc(S(=O)(=O)N2CN(c3cccc(C(C)=O)c3)c3nc4ccccc4nc32)cc1
InChIInChI=1S/C25H22N4O4S/c1-3-33-20-11-13-21(14-12-20)34(31,32)29-16-28(19-8-6-7-18(15-19)17(2)30)24-25(29)27-23-10-5-4-9-22(23)26-24/h4-15H,3,16H2,1-2H3
InChIKeyXAOLSYXUSLMLBY-UHFFFAOYSA-N
XLogP4.54
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[3-[3-(4-ethoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxalin-1-yl]phenyl]ethanone with MolForge

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Related Compounds

2-methoxy-N-[2-methyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide
CID 145829181
N-[6-(tert-butylamino)-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2-methoxybenzenesulfonamide
CID 155556217
1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline
CID 663429
1-(4-methoxybenzyl)-3-(phenylsulfonyl)-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 2001676
1-(3,4-Dimethyl-benzenesulfonyl)-3-furan-2-ylmethyl-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 2007309
1-(furan-2-ylmethyl)-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline
CID 2009470
1-(4-methoxyphenethyl)-3-(phenylsulfonyl)-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 2014189
1-(furan-2-ylmethyl)-3-[(3-methylphenyl)sulfonyl]-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 2015810
3-{[(3Z)-3-{[(4-methoxyphenyl)sulfonyl]imino}-3,4-dihydroquinoxalin-2-yl]amino}benzoic acid
CID 2068808
1-(2-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline
CID 2307191
1-(2-methoxybenzyl)-3-(phenylsulfonyl)-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 2016143
[(4-Ethoxyphenyl)sulfonyl][3-(4-{[(2-methylphenyl)carbonyl]amino}pyridinium-1-yl)quinoxalin-2-yl]azanide
CID 3493986

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(4-ethoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxalin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[3-[3-(4-ethoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxalin-1-yl]phenyl]ethanone (CID 2116911) is 1-[3-[3-(4-ethoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxalin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[3-(4-ethoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxalin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[3-[3-(4-ethoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxalin-1-yl]phenyl]ethanone is CCOc1ccc(S(=O)(=O)N2CN(c3cccc(C(C)=O)c3)c3nc4ccccc4nc32)cc1.
What is the InChIKey of 1-[3-[3-(4-ethoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxalin-1-yl]phenyl]ethanone?
The InChIKey is XAOLSYXUSLMLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4S/c1-3-33-20-11-13-21(14-12-20)34(31,32)29-16-28(19-8-6-7-18(15-19)17(2)30)24-25(29)27-23-10-5-4-9-22(23)26-24/h4-15H,3,16H2,1-2H3.
What are the key properties of 1-[3-[3-(4-ethoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxalin-1-yl]phenyl]ethanone?
1-[3-[3-(4-ethoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxalin-1-yl]phenyl]ethanone has a molecular weight of 474.54 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(4-ethoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxalin-1-yl]phenyl]ethanone is sourced from PubChem (CID 2116911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).