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

C20H22N4O2S — CID 7462909

IUPAC1-butyl-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline
SMILESCCCCN1CN(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21
InChIInChI=1S/C20H22N4O2S/c1-3-4-13-23-14-24(27(25,26)16-11-9-15(2)10-12-16)20-19(23)21-17-7-5-6-8-18(17)22-20/h5-12H,3-4,13-14H2,1-2H3
InChIKeyTYBKZLJFFZQCHN-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.71
Rot. Bonds5

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

1-butyl-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline (PubChem CID 7462909) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 1-butyl-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name1-butyl-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline
PubChem CID7462909
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name1-butyl-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline
SMILESCCCCN1CN(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21
InChIInChI=1S/C20H22N4O2S/c1-3-4-13-23-14-24(27(25,26)16-11-9-15(2)10-12-16)20-19(23)21-17-7-5-6-8-18(17)22-20/h5-12H,3-4,13-14H2,1-2H3
InChIKeyTYBKZLJFFZQCHN-UHFFFAOYSA-N
XLogP3.71
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-butyl-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline?
The IUPAC name of 1-butyl-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline (CID 7462909) is 1-butyl-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 1-butyl-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline?
The canonical SMILES for 1-butyl-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline is CCCCN1CN(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21.
What is the InChIKey of 1-butyl-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline?
The InChIKey is TYBKZLJFFZQCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-3-4-13-23-14-24(27(25,26)16-11-9-15(2)10-12-16)20-19(23)21-17-7-5-6-8-18(17)22-20/h5-12H,3-4,13-14H2,1-2H3.
What are the key properties of 1-butyl-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline?
1-butyl-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline has a molecular weight of 382.49 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 7462909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).