2,3-bis[(4-methoxyphenyl)sulfanyl]quinoxaline

C22H18N2O2S2 — CID 13142849

IUPAC2,3-bis[(4-methoxyphenyl)sulfanyl]quinoxaline
SMILESCOc1ccc(Sc2nc3ccccc3nc2Sc2ccc(OC)cc2)cc1
InChIInChI=1S/C22H18N2O2S2/c1-25-15-7-11-17(12-8-15)27-21-22(24-20-6-4-3-5-19(20)23-21)28-18-13-9-16(26-2)10-14-18/h3-14H,1-2H3
InChIKeyGWLLNRXYKBZLTD-UHFFFAOYSA-N
MW406.53 g/mol
LogP5.95
Rot. Bonds6

About 2,3-bis[(4-methoxyphenyl)sulfanyl]quinoxaline

2,3-bis[(4-methoxyphenyl)sulfanyl]quinoxaline (PubChem CID 13142849) has the molecular formula C22H18N2O2S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2,3-bis[(4-methoxyphenyl)sulfanyl]quinoxaline.

Molecular Properties

Compound Name2,3-bis[(4-methoxyphenyl)sulfanyl]quinoxaline
PubChem CID13142849
Molecular FormulaC22H18N2O2S2
Molecular Weight406.53 g/mol
Exact Mass406.08
IUPAC Name2,3-bis[(4-methoxyphenyl)sulfanyl]quinoxaline
SMILESCOc1ccc(Sc2nc3ccccc3nc2Sc2ccc(OC)cc2)cc1
InChIInChI=1S/C22H18N2O2S2/c1-25-15-7-11-17(12-8-15)27-21-22(24-20-6-4-3-5-19(20)23-21)28-18-13-9-16(26-2)10-14-18/h3-14H,1-2H3
InChIKeyGWLLNRXYKBZLTD-UHFFFAOYSA-N
XLogP5.95
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,3-bis[(4-methoxyphenyl)sulfanyl]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 2,3-bis[(4-methoxyphenyl)sulfanyl]quinoxaline?
The IUPAC name of 2,3-bis[(4-methoxyphenyl)sulfanyl]quinoxaline (CID 13142849) is 2,3-bis[(4-methoxyphenyl)sulfanyl]quinoxaline.
What is the SMILES notation for 2,3-bis[(4-methoxyphenyl)sulfanyl]quinoxaline?
The canonical SMILES for 2,3-bis[(4-methoxyphenyl)sulfanyl]quinoxaline is COc1ccc(Sc2nc3ccccc3nc2Sc2ccc(OC)cc2)cc1.
What is the InChIKey of 2,3-bis[(4-methoxyphenyl)sulfanyl]quinoxaline?
The InChIKey is GWLLNRXYKBZLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S2/c1-25-15-7-11-17(12-8-15)27-21-22(24-20-6-4-3-5-19(20)23-21)28-18-13-9-16(26-2)10-14-18/h3-14H,1-2H3.
What are the key properties of 2,3-bis[(4-methoxyphenyl)sulfanyl]quinoxaline?
2,3-bis[(4-methoxyphenyl)sulfanyl]quinoxaline has a molecular weight of 406.53 g/mol, XLogP of 5.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[(4-methoxyphenyl)sulfanyl]quinoxaline is sourced from PubChem (CID 13142849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).