1-(2-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline

C23H20N4O3S — CID 2307191

IUPAC1-(2-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline
SMILESCOc1ccccc1N1CN(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21
InChIInChI=1S/C23H20N4O3S/c1-16-11-13-17(14-12-16)31(28,29)27-15-26(20-9-5-6-10-21(20)30-2)22-23(27)25-19-8-4-3-7-18(19)24-22/h3-14H,15H2,1-2H3
InChIKeyFNGBEUQEWWMCFC-UHFFFAOYSA-N
MW432.51 g/mol
LogP4.25
Rot. Bonds4

About 1-(2-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline

1-(2-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline (PubChem CID 2307191) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline
PubChem CID2307191
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC Name1-(2-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline
SMILESCOc1ccccc1N1CN(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21
InChIInChI=1S/C23H20N4O3S/c1-16-11-13-17(14-12-16)31(28,29)27-15-26(20-9-5-6-10-21(20)30-2)22-23(27)25-19-8-4-3-7-18(19)24-22/h3-14H,15H2,1-2H3
InChIKeyFNGBEUQEWWMCFC-UHFFFAOYSA-N
XLogP4.25
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-((2,4-dimethoxyphenyl)amino)quinoxalin-2-yl)-4-methylbenzenesulfonamide
CID 1327287
1-[3-[3-(4-ethoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxalin-1-yl]phenyl]ethanone
CID 2116911
1-(4-methoxybenzyl)-3-(phenylsulfonyl)-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 2001676
1-(4-methoxyphenethyl)-3-(phenylsulfonyl)-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 2014189
1-Benzenesulfonyl-3-[2-(3,4-dimethoxy-phenyl)-ethyl]-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 2021230
1-[2-(3,4-Dimethoxy-phenyl)-ethyl]-3-(4-methoxy-benzenesulfonyl)-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 2044098
N-[2-hydroxy-3-(2-methyl-1H-benzimidazol-1-yl)propyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 2909411
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide
CID 4878685
2-[4-(2-Methoxyphenyl)piperazin-1-YL]-6-(piperidine-1-sulfonyl)quinoline
CID 16024730
4-[1-(2-Methoxy-phenyl)-1H-benzoimidazol-2-yl]-benzenesulfonamide
CID 25044152
3-cyano-N-[3-(2,5-dimethoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 16046007
4-[2-[1-(4-Methoxyphenyl)sulfonyl-2-benzimidazolyl]ethyl]morpholine
CID 646739

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline?
The IUPAC name of 1-(2-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline (CID 2307191) is 1-(2-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline?
The canonical SMILES for 1-(2-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline is COc1ccccc1N1CN(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21.
What is the InChIKey of 1-(2-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline?
The InChIKey is FNGBEUQEWWMCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-16-11-13-17(14-12-16)31(28,29)27-15-26(20-9-5-6-10-21(20)30-2)22-23(27)25-19-8-4-3-7-18(19)24-22/h3-14H,15H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline?
1-(2-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline has a molecular weight of 432.51 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 2307191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).