6-butylsulfinyl-2,3-diphenylquinoxaline

C24H22N2OS — CID 135300289

IUPAC6-butylsulfinyl-2,3-diphenylquinoxaline
SMILESCCCCS(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1
InChIInChI=1S/C24H22N2OS/c1-2-3-16-28(27)20-14-15-21-22(17-20)26-24(19-12-8-5-9-13-19)23(25-21)18-10-6-4-7-11-18/h4-15,17H,2-3,16H2,1H3
InChIKeyJIHQJICLZDQYMO-UHFFFAOYSA-N
MW386.52 g/mol
LogP5.87
Rot. Bonds6

About 6-butylsulfinyl-2,3-diphenylquinoxaline

6-butylsulfinyl-2,3-diphenylquinoxaline (PubChem CID 135300289) has the molecular formula C24H22N2OS and a molecular weight of 386.52 g/mol. Its IUPAC name is 6-butylsulfinyl-2,3-diphenylquinoxaline.

Molecular Properties

Compound Name6-butylsulfinyl-2,3-diphenylquinoxaline
PubChem CID135300289
Molecular FormulaC24H22N2OS
Molecular Weight386.52 g/mol
Exact Mass386.15
IUPAC Name6-butylsulfinyl-2,3-diphenylquinoxaline
SMILESCCCCS(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1
InChIInChI=1S/C24H22N2OS/c1-2-3-16-28(27)20-14-15-21-22(17-20)26-24(19-12-8-5-9-13-19)23(25-21)18-10-6-4-7-11-18/h4-15,17H,2-3,16H2,1H3
InChIKeyJIHQJICLZDQYMO-UHFFFAOYSA-N
XLogP5.87
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.52
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-butylsulfinyl-2,3-diphenylquinoxaline 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 6-butylsulfinyl-2,3-diphenylquinoxaline?
The IUPAC name of 6-butylsulfinyl-2,3-diphenylquinoxaline (CID 135300289) is 6-butylsulfinyl-2,3-diphenylquinoxaline.
What is the SMILES notation for 6-butylsulfinyl-2,3-diphenylquinoxaline?
The canonical SMILES for 6-butylsulfinyl-2,3-diphenylquinoxaline is CCCCS(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1.
What is the InChIKey of 6-butylsulfinyl-2,3-diphenylquinoxaline?
The InChIKey is JIHQJICLZDQYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2OS/c1-2-3-16-28(27)20-14-15-21-22(17-20)26-24(19-12-8-5-9-13-19)23(25-21)18-10-6-4-7-11-18/h4-15,17H,2-3,16H2,1H3.
What are the key properties of 6-butylsulfinyl-2,3-diphenylquinoxaline?
6-butylsulfinyl-2,3-diphenylquinoxaline has a molecular weight of 386.52 g/mol, XLogP of 5.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butylsulfinyl-2,3-diphenylquinoxaline is sourced from PubChem (CID 135300289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).