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

C24H22N4O3S — CID 2014189

IUPAC3-(benzenesulfonyl)-1-[2-(4-methoxyphenyl)ethyl]-2H-imidazo[4,5-b]quinoxaline
SMILESCOc1ccc(CCN2CN(S(=O)(=O)c3ccccc3)c3nc4ccccc4nc32)cc1
InChIInChI=1S/C24H22N4O3S/c1-31-19-13-11-18(12-14-19)15-16-27-17-28(32(29,30)20-7-3-2-4-8-20)24-23(27)25-21-9-5-6-10-22(21)26-24/h2-14H,15-17H2,1H3
InChIKeyGLWSOKHAZUAAGQ-UHFFFAOYSA-N
MW446.53 g/mol
LogP3.85
Rot. Bonds6

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

3-(benzenesulfonyl)-1-[2-(4-methoxyphenyl)ethyl]-2H-imidazo[4,5-b]quinoxaline (PubChem CID 2014189) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-1-[2-(4-methoxyphenyl)ethyl]-2H-imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name3-(benzenesulfonyl)-1-[2-(4-methoxyphenyl)ethyl]-2H-imidazo[4,5-b]quinoxaline
PubChem CID2014189
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC Name3-(benzenesulfonyl)-1-[2-(4-methoxyphenyl)ethyl]-2H-imidazo[4,5-b]quinoxaline
SMILESCOc1ccc(CCN2CN(S(=O)(=O)c3ccccc3)c3nc4ccccc4nc32)cc1
InChIInChI=1S/C24H22N4O3S/c1-31-19-13-11-18(12-14-19)15-16-27-17-28(32(29,30)20-7-3-2-4-8-20)24-23(27)25-21-9-5-6-10-22(21)26-24/h2-14H,15-17H2,1H3
InChIKeyGLWSOKHAZUAAGQ-UHFFFAOYSA-N
XLogP3.85
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-1-[2-(4-methoxyphenyl)ethyl]-2H-imidazo[4,5-b]quinoxaline?
The IUPAC name of 3-(benzenesulfonyl)-1-[2-(4-methoxyphenyl)ethyl]-2H-imidazo[4,5-b]quinoxaline (CID 2014189) is 3-(benzenesulfonyl)-1-[2-(4-methoxyphenyl)ethyl]-2H-imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 3-(benzenesulfonyl)-1-[2-(4-methoxyphenyl)ethyl]-2H-imidazo[4,5-b]quinoxaline?
The canonical SMILES for 3-(benzenesulfonyl)-1-[2-(4-methoxyphenyl)ethyl]-2H-imidazo[4,5-b]quinoxaline is COc1ccc(CCN2CN(S(=O)(=O)c3ccccc3)c3nc4ccccc4nc32)cc1.
What is the InChIKey of 3-(benzenesulfonyl)-1-[2-(4-methoxyphenyl)ethyl]-2H-imidazo[4,5-b]quinoxaline?
The InChIKey is GLWSOKHAZUAAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-31-19-13-11-18(12-14-19)15-16-27-17-28(32(29,30)20-7-3-2-4-8-20)24-23(27)25-21-9-5-6-10-22(21)26-24/h2-14H,15-17H2,1H3.
What are the key properties of 3-(benzenesulfonyl)-1-[2-(4-methoxyphenyl)ethyl]-2H-imidazo[4,5-b]quinoxaline?
3-(benzenesulfonyl)-1-[2-(4-methoxyphenyl)ethyl]-2H-imidazo[4,5-b]quinoxaline has a molecular weight of 446.53 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-1-[2-(4-methoxyphenyl)ethyl]-2H-imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 2014189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).