2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide

C29H26N4O4 — CID 46507732

About 2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide

2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 46507732) has the molecular formula C29H26N4O4 and a molecular weight of 494.55 g/mol. Its IUPAC name is 2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
• PubChem CID: 46507732
• Molecular Formula: C29H26N4O4
• Molecular Weight: 494.55 g/mol
• Exact Mass: 494.20
• IUPAC Name: 2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
• SMILES: COc1ccc(-c2noc(-c3cc(=O)n(CC(=O)Nc4ccc(C(C)C)cc4)c4ccccc34)n2)cc1
• InChI: InChI=1S/C29H26N4O4/c1-18(2)19-8-12-21(13-9-19)30-26(34)17-33-25-7-5-4-6-23(25)24(16-27(33)35)29-31-28(32-37-29)20-10-14-22(36-3)15-11-20/h4-16,18H,17H2,1-3H3,(H,30,34)
• InChIKey: CLBCEFBGHNJWPM-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 99.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.55
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?

The IUPAC name of 2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide (CID 46507732) is 2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide.

What is the SMILES notation for 2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?

The canonical SMILES for 2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide is COc1ccc(-c2noc(-c3cc(=O)n(CC(=O)Nc4ccc(C(C)C)cc4)c4ccccc34)n2)cc1.

What is the InChIKey of 2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?

The InChIKey is CLBCEFBGHNJWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O4/c1-18(2)19-8-12-21(13-9-19)30-26(34)17-33-25-7-5-4-6-23(25)24(16-27(33)35)29-31-28(32-37-29)20-10-14-22(36-3)15-11-20/h4-16,18H,17H2,1-3H3,(H,30,34).

What are the key properties of 2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?

2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 494.55 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 46507732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).