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

C25H24N4O4S — CID 2021230

IUPAC3-(benzenesulfonyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2H-imidazo[4,5-b]quinoxaline
SMILESCOc1ccc(CCN2CN(S(=O)(=O)c3ccccc3)c3nc4ccccc4nc32)cc1OC
InChIInChI=1S/C25H24N4O4S/c1-32-22-13-12-18(16-23(22)33-2)14-15-28-17-29(34(30,31)19-8-4-3-5-9-19)25-24(28)26-20-10-6-7-11-21(20)27-25/h3-13,16H,14-15,17H2,1-2H3
InChIKeySURIKKMAJFAWRM-UHFFFAOYSA-N
MW476.56 g/mol
LogP3.86
Rot. Bonds7

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

3-(benzenesulfonyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2H-imidazo[4,5-b]quinoxaline (PubChem CID 2021230) has the molecular formula C25H24N4O4S and a molecular weight of 476.56 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2H-imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name3-(benzenesulfonyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2H-imidazo[4,5-b]quinoxaline
PubChem CID2021230
Molecular FormulaC25H24N4O4S
Molecular Weight476.56 g/mol
Exact Mass476.15
IUPAC Name3-(benzenesulfonyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2H-imidazo[4,5-b]quinoxaline
SMILESCOc1ccc(CCN2CN(S(=O)(=O)c3ccccc3)c3nc4ccccc4nc32)cc1OC
InChIInChI=1S/C25H24N4O4S/c1-32-22-13-12-18(16-23(22)33-2)14-15-28-17-29(34(30,31)19-8-4-3-5-9-19)25-24(28)26-20-10-6-7-11-21(20)27-25/h3-13,16H,14-15,17H2,1-2H3
InChIKeySURIKKMAJFAWRM-UHFFFAOYSA-N
XLogP3.86
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2H-imidazo[4,5-b]quinoxaline?
The IUPAC name of 3-(benzenesulfonyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2H-imidazo[4,5-b]quinoxaline (CID 2021230) is 3-(benzenesulfonyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2H-imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 3-(benzenesulfonyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2H-imidazo[4,5-b]quinoxaline?
The canonical SMILES for 3-(benzenesulfonyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2H-imidazo[4,5-b]quinoxaline is COc1ccc(CCN2CN(S(=O)(=O)c3ccccc3)c3nc4ccccc4nc32)cc1OC.
What is the InChIKey of 3-(benzenesulfonyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2H-imidazo[4,5-b]quinoxaline?
The InChIKey is SURIKKMAJFAWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4S/c1-32-22-13-12-18(16-23(22)33-2)14-15-28-17-29(34(30,31)19-8-4-3-5-9-19)25-24(28)26-20-10-6-7-11-21(20)27-25/h3-13,16H,14-15,17H2,1-2H3.
What are the key properties of 3-(benzenesulfonyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2H-imidazo[4,5-b]quinoxaline?
3-(benzenesulfonyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2H-imidazo[4,5-b]quinoxaline has a molecular weight of 476.56 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2H-imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 2021230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).