2-(3,4-dimethoxyphenyl)-8-(4-methylsulfonylphenyl)quinoxaline

C23H20N2O4S — CID 59392692

IUPAC2-(3,4-dimethoxyphenyl)-8-(4-methylsulfonylphenyl)quinoxaline
SMILESCOc1ccc(-c2cnc3cccc(-c4ccc(S(C)(=O)=O)cc4)c3n2)cc1OC
InChIInChI=1S/C23H20N2O4S/c1-28-21-12-9-16(13-22(21)29-2)20-14-24-19-6-4-5-18(23(19)25-20)15-7-10-17(11-8-15)30(3,26)27/h4-14H,1-3H3
InChIKeyUYEKGWYICOKOKO-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.38
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-8-(4-methylsulfonylphenyl)quinoxaline

2-(3,4-dimethoxyphenyl)-8-(4-methylsulfonylphenyl)quinoxaline (PubChem CID 59392692) has the molecular formula C23H20N2O4S and a molecular weight of 420.49 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-8-(4-methylsulfonylphenyl)quinoxaline.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-8-(4-methylsulfonylphenyl)quinoxaline
PubChem CID59392692
Molecular FormulaC23H20N2O4S
Molecular Weight420.49 g/mol
Exact Mass420.11
IUPAC Name2-(3,4-dimethoxyphenyl)-8-(4-methylsulfonylphenyl)quinoxaline
SMILESCOc1ccc(-c2cnc3cccc(-c4ccc(S(C)(=O)=O)cc4)c3n2)cc1OC
InChIInChI=1S/C23H20N2O4S/c1-28-21-12-9-16(13-22(21)29-2)20-14-24-19-6-4-5-18(23(19)25-20)15-7-10-17(11-8-15)30(3,26)27/h4-14H,1-3H3
InChIKeyUYEKGWYICOKOKO-UHFFFAOYSA-N
XLogP4.38
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-8-(4-methylsulfonylphenyl)quinoxaline?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-8-(4-methylsulfonylphenyl)quinoxaline (CID 59392692) is 2-(3,4-dimethoxyphenyl)-8-(4-methylsulfonylphenyl)quinoxaline.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-8-(4-methylsulfonylphenyl)quinoxaline?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-8-(4-methylsulfonylphenyl)quinoxaline is COc1ccc(-c2cnc3cccc(-c4ccc(S(C)(=O)=O)cc4)c3n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-8-(4-methylsulfonylphenyl)quinoxaline?
The InChIKey is UYEKGWYICOKOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4S/c1-28-21-12-9-16(13-22(21)29-2)20-14-24-19-6-4-5-18(23(19)25-20)15-7-10-17(11-8-15)30(3,26)27/h4-14H,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-8-(4-methylsulfonylphenyl)quinoxaline?
2-(3,4-dimethoxyphenyl)-8-(4-methylsulfonylphenyl)quinoxaline has a molecular weight of 420.49 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-8-(4-methylsulfonylphenyl)quinoxaline is sourced from PubChem (CID 59392692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).