N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide

C26H26N4O2 — CID 112812114

About N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide (PubChem CID 112812114) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
• PubChem CID: 112812114
• Molecular Formula: C26H26N4O2
• Molecular Weight: 426.52 g/mol
• Exact Mass: 426.21
• IUPAC Name: N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
• SMILES: Cc1nc(C2(NC(=O)Cc3c(C)nc4ccccc4c3-c3ccccc3)CCCC2)no1
• InChI: InChI=1S/C26H26N4O2/c1-17-21(16-23(31)29-26(14-8-9-15-26)25-28-18(2)32-30-25)24(19-10-4-3-5-11-19)20-12-6-7-13-22(20)27-17/h3-7,10-13H,8-9,14-16H2,1-2H3,(H,29,31)
• InChIKey: VSOIFRKLZGGWQK-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 80.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.52
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide?

The IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide (CID 112812114) is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide.

What is the SMILES notation for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide?

The canonical SMILES for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide is Cc1nc(C2(NC(=O)Cc3c(C)nc4ccccc4c3-c3ccccc3)CCCC2)no1.

What is the InChIKey of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide?

The InChIKey is VSOIFRKLZGGWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-17-21(16-23(31)29-26(14-8-9-15-26)25-28-18(2)32-30-25)24(19-10-4-3-5-11-19)20-12-6-7-13-22(20)27-17/h3-7,10-13H,8-9,14-16H2,1-2H3,(H,29,31).

What are the key properties of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide?

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide has a molecular weight of 426.52 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide is sourced from PubChem (CID 112812114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).