2-[3-[3-(4-methylsulfonylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline

C23H20N4O2S — CID 58546882

IUPAC2-[3-[3-(4-methylsulfonylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESCS(=O)(=O)c1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1
InChIInChI=1S/C23H20N4O2S/c1-30(28,29)19-9-6-17(7-10-19)22-23(25-13-12-24-22)18-14-27(15-18)21-11-8-16-4-2-3-5-20(16)26-21/h2-13,18H,14-15H2,1H3
InChIKeyOYPLQFHTAIYPJD-UHFFFAOYSA-N
MW416.51 g/mol
LogP3.70
Rot. Bonds4

About 2-[3-[3-(4-methylsulfonylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline

2-[3-[3-(4-methylsulfonylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline (PubChem CID 58546882) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is 2-[3-[3-(4-methylsulfonylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[3-[3-(4-methylsulfonylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
PubChem CID58546882
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC Name2-[3-[3-(4-methylsulfonylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESCS(=O)(=O)c1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1
InChIInChI=1S/C23H20N4O2S/c1-30(28,29)19-9-6-17(7-10-19)22-23(25-13-12-24-22)18-14-27(15-18)21-11-8-16-4-2-3-5-20(16)26-21/h2-13,18H,14-15H2,1H3
InChIKeyOYPLQFHTAIYPJD-UHFFFAOYSA-N
XLogP3.70
TPSA76.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-[3-(4-methylsulfonylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline 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-[3-(4-methylsulfonylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The IUPAC name of 2-[3-[3-(4-methylsulfonylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline (CID 58546882) is 2-[3-[3-(4-methylsulfonylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline.
What is the SMILES notation for 2-[3-[3-(4-methylsulfonylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The canonical SMILES for 2-[3-[3-(4-methylsulfonylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline is CS(=O)(=O)c1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1.
What is the InChIKey of 2-[3-[3-(4-methylsulfonylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The InChIKey is OYPLQFHTAIYPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c1-30(28,29)19-9-6-17(7-10-19)22-23(25-13-12-24-22)18-14-27(15-18)21-11-8-16-4-2-3-5-20(16)26-21/h2-13,18H,14-15H2,1H3.
What are the key properties of 2-[3-[3-(4-methylsulfonylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
2-[3-[3-(4-methylsulfonylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline has a molecular weight of 416.51 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(4-methylsulfonylphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline is sourced from PubChem (CID 58546882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).