2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]-N-pyridin-2-ylacetamide

C22H26N4O4S — CID 50794842

About 2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]-N-pyridin-2-ylacetamide

2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]-N-pyridin-2-ylacetamide (PubChem CID 50794842) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is 2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]-N-pyridin-2-ylacetamide.

Molecular Properties

• Compound Name: 2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]-N-pyridin-2-ylacetamide
• PubChem CID: 50794842
• Molecular Formula: C22H26N4O4S
• Molecular Weight: 442.54 g/mol
• Exact Mass: 442.17
• IUPAC Name: 2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]-N-pyridin-2-ylacetamide
• SMILES: CC1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3CC(=O)Nc2ccccn2)CC1
• InChI: InChI=1S/C22H26N4O4S/c1-16-9-12-25(13-10-16)31(29,30)18-6-7-19-17(14-18)5-8-22(28)26(19)15-21(27)24-20-4-2-3-11-23-20/h2-4,6-7,11,14,16H,5,8-10,12-13,15H2,1H3,(H,23,24,27)
• InChIKey: XHLLGCWUHXOYTO-UHFFFAOYSA-N
• XLogP: 2.42
• TPSA: 99.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.54
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]-N-pyridin-2-ylacetamide?

The IUPAC name of 2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]-N-pyridin-2-ylacetamide (CID 50794842) is 2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]-N-pyridin-2-ylacetamide.

What is the SMILES notation for 2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]-N-pyridin-2-ylacetamide?

The canonical SMILES for 2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]-N-pyridin-2-ylacetamide is CC1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3CC(=O)Nc2ccccn2)CC1.

What is the InChIKey of 2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]-N-pyridin-2-ylacetamide?

The InChIKey is XHLLGCWUHXOYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S/c1-16-9-12-25(13-10-16)31(29,30)18-6-7-19-17(14-18)5-8-22(28)26(19)15-21(27)24-20-4-2-3-11-23-20/h2-4,6-7,11,14,16H,5,8-10,12-13,15H2,1H3,(H,23,24,27).

What are the key properties of 2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]-N-pyridin-2-ylacetamide?

2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]-N-pyridin-2-ylacetamide has a molecular weight of 442.54 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 50794842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).