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

C25H31N3O4S — CID 50794817

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

2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]-N-(2-phenylethyl)acetamide (PubChem CID 50794817) has the molecular formula C25H31N3O4S and a molecular weight of 469.61 g/mol. Its IUPAC name is 2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

• Compound Name: 2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]-N-(2-phenylethyl)acetamide
• PubChem CID: 50794817
• Molecular Formula: C25H31N3O4S
• Molecular Weight: 469.61 g/mol
• Exact Mass: 469.20
• IUPAC Name: 2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]-N-(2-phenylethyl)acetamide
• SMILES: CC1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3CC(=O)NCCc2ccccc2)CC1
• InChI: InChI=1S/C25H31N3O4S/c1-19-12-15-27(16-13-19)33(31,32)22-8-9-23-21(17-22)7-10-25(30)28(23)18-24(29)26-14-11-20-5-3-2-4-6-20/h2-6,8-9,17,19H,7,10-16,18H2,1H3,(H,26,29)
• InChIKey: RAHMNVQORTUMSS-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 86.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.61
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]-N-(2-phenylethyl)acetamide (CID 50794817) is 2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]-N-(2-phenylethyl)acetamide.

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

The canonical SMILES for 2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]-N-(2-phenylethyl)acetamide is CC1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3CC(=O)NCCc2ccccc2)CC1.

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

The InChIKey is RAHMNVQORTUMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4S/c1-19-12-15-27(16-13-19)33(31,32)22-8-9-23-21(17-22)7-10-25(30)28(23)18-24(29)26-14-11-20-5-3-2-4-6-20/h2-6,8-9,17,19H,7,10-16,18H2,1H3,(H,26,29).

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

2-[6-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 469.61 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 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-(2-phenylethyl)acetamide is sourced from PubChem (CID 50794817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).