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

C24H20N4O4S — CID 2010612

IUPAC1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline
SMILESCc1ccc(S(=O)(=O)N2CN(Cc3ccc4c(c3)OCO4)c3nc4ccccc4nc32)cc1
InChIInChI=1S/C24H20N4O4S/c1-16-6-9-18(10-7-16)33(29,30)28-14-27(13-17-8-11-21-22(12-17)32-15-31-21)23-24(28)26-20-5-3-2-4-19(20)25-23/h2-12H,13-15H2,1H3
InChIKeyAZVLOJUUCCAHLI-UHFFFAOYSA-N
MW460.52 g/mol
LogP3.84
Rot. Bonds4

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

1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline (PubChem CID 2010612) has the molecular formula C24H20N4O4S and a molecular weight of 460.52 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline
PubChem CID2010612
Molecular FormulaC24H20N4O4S
Molecular Weight460.52 g/mol
Exact Mass460.12
IUPAC Name1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline
SMILESCc1ccc(S(=O)(=O)N2CN(Cc3ccc4c(c3)OCO4)c3nc4ccccc4nc32)cc1
InChIInChI=1S/C24H20N4O4S/c1-16-6-9-18(10-7-16)33(29,30)28-14-27(13-17-8-11-21-22(12-17)32-15-31-21)23-24(28)26-20-5-3-2-4-19(20)25-23/h2-12H,13-15H2,1H3
InChIKeyAZVLOJUUCCAHLI-UHFFFAOYSA-N
XLogP3.84
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.52
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1,3-benzodioxol-5-ylmethyl)-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline
CID 2027931
3-(4-methoxyphenyl)sulfonyl-1-propyl-2H-imidazo[4,5-b]quinoxaline
CID 2014335
2-[4-[[1-(3-methylphenyl)-2H-imidazo[4,5-b]quinoxalin-3-yl]sulfonyl]phenyl]acetamide;2-[4-[(1-phenyl-2H-imidazo[4,5-b]quinoxalin-3-yl)sulfonyl]phenyl]acetamide
CID 87674161
1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine
CID 2009206
4-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine
CID 46086767
3-(2,5-dichlorophenyl)sulfonyl-1-[(4-fluorophenyl)methyl]-2H-imidazo[4,5-b]quinoxaline
CID 2025211
1-(1,3-benzodioxol-5-ylsulfonyl)-7-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
CID 20996322
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-methylbenzenesulfonamide
CID 17402358
(4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)sulfonyl-1,3-oxazinan-6-one
CID 102467563
1-(1,3-benzodioxol-5-ylmethyl)-2-methylimidazole
CID 45097499
N-[3-(1,3-benzodioxol-5-ylmethylamino)quinoxalin-2-yl]-4-bromobenzenesulfonamide
CID 4083209
1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-bromophenyl)methyl]-5,6-dimethyl-2H-benzimidazole;hydrobromide
CID 174972570

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline?
The IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline (CID 2010612) is 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline?
The canonical SMILES for 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline is Cc1ccc(S(=O)(=O)N2CN(Cc3ccc4c(c3)OCO4)c3nc4ccccc4nc32)cc1.
What is the InChIKey of 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline?
The InChIKey is AZVLOJUUCCAHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4S/c1-16-6-9-18(10-7-16)33(29,30)28-14-27(13-17-8-11-21-22(12-17)32-15-31-21)23-24(28)26-20-5-3-2-4-19(20)25-23/h2-12H,13-15H2,1H3.
What are the key properties of 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline?
1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline has a molecular weight of 460.52 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 2010612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).