5-(4-methylsulfonylphenyl)-3-quinoxalin-6-ylpyridin-2-amine

C20H16N4O2S — CID 53311218

IUPAC5-(4-methylsulfonylphenyl)-3-quinoxalin-6-ylpyridin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4nccnc4c3)c2)cc1
InChIInChI=1S/C20H16N4O2S/c1-27(25,26)16-5-2-13(3-6-16)15-10-17(20(21)24-12-15)14-4-7-18-19(11-14)23-9-8-22-18/h2-12H,1H3,(H2,21,24)
InChIKeyISFQOUBZTDIQBI-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.34
Rot. Bonds3

About 5-(4-methylsulfonylphenyl)-3-quinoxalin-6-ylpyridin-2-amine

5-(4-methylsulfonylphenyl)-3-quinoxalin-6-ylpyridin-2-amine (PubChem CID 53311218) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is 5-(4-methylsulfonylphenyl)-3-quinoxalin-6-ylpyridin-2-amine.

Molecular Properties

Compound Name5-(4-methylsulfonylphenyl)-3-quinoxalin-6-ylpyridin-2-amine
PubChem CID53311218
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC Name5-(4-methylsulfonylphenyl)-3-quinoxalin-6-ylpyridin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4nccnc4c3)c2)cc1
InChIInChI=1S/C20H16N4O2S/c1-27(25,26)16-5-2-13(3-6-16)15-10-17(20(21)24-12-15)14-4-7-18-19(11-14)23-9-8-22-18/h2-12H,1H3,(H2,21,24)
InChIKeyISFQOUBZTDIQBI-UHFFFAOYSA-N
XLogP3.34
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonylphenyl)-3-quinoxalin-6-ylpyridin-2-amine?
The IUPAC name of 5-(4-methylsulfonylphenyl)-3-quinoxalin-6-ylpyridin-2-amine (CID 53311218) is 5-(4-methylsulfonylphenyl)-3-quinoxalin-6-ylpyridin-2-amine.
What is the SMILES notation for 5-(4-methylsulfonylphenyl)-3-quinoxalin-6-ylpyridin-2-amine?
The canonical SMILES for 5-(4-methylsulfonylphenyl)-3-quinoxalin-6-ylpyridin-2-amine is CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4nccnc4c3)c2)cc1.
What is the InChIKey of 5-(4-methylsulfonylphenyl)-3-quinoxalin-6-ylpyridin-2-amine?
The InChIKey is ISFQOUBZTDIQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c1-27(25,26)16-5-2-13(3-6-16)15-10-17(20(21)24-12-15)14-4-7-18-19(11-14)23-9-8-22-18/h2-12H,1H3,(H2,21,24).
What are the key properties of 5-(4-methylsulfonylphenyl)-3-quinoxalin-6-ylpyridin-2-amine?
5-(4-methylsulfonylphenyl)-3-quinoxalin-6-ylpyridin-2-amine has a molecular weight of 376.44 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylphenyl)-3-quinoxalin-6-ylpyridin-2-amine is sourced from PubChem (CID 53311218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).