3-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-propan-2-ylphenyl)propanamide

C24H24N4O3 — CID 135970417

About 3-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-propan-2-ylphenyl)propanamide

3-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 135970417) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 3-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

• Compound Name: 3-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-propan-2-ylphenyl)propanamide
• PubChem CID: 135970417
• Molecular Formula: C24H24N4O3
• Molecular Weight: 416.48 g/mol
• Exact Mass: 416.18
• IUPAC Name: 3-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-propan-2-ylphenyl)propanamide
• SMILES: Cc1ccc2[nH]c(=O)c(-c3noc(CCC(=O)Nc4ccccc4C(C)C)n3)cc2c1
• InChI: InChI=1S/C24H24N4O3/c1-14(2)17-6-4-5-7-20(17)25-21(29)10-11-22-27-23(28-31-22)18-13-16-12-15(3)8-9-19(16)26-24(18)30/h4-9,12-14H,10-11H2,1-3H3,(H,25,29)(H,26,30)
• InChIKey: IMCPNTJAFZXLEG-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 100.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.48
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-propan-2-ylphenyl)propanamide?

The IUPAC name of 3-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-propan-2-ylphenyl)propanamide (CID 135970417) is 3-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-propan-2-ylphenyl)propanamide.

What is the SMILES notation for 3-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-propan-2-ylphenyl)propanamide?

The canonical SMILES for 3-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-propan-2-ylphenyl)propanamide is Cc1ccc2[nH]c(=O)c(-c3noc(CCC(=O)Nc4ccccc4C(C)C)n3)cc2c1.

What is the InChIKey of 3-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-propan-2-ylphenyl)propanamide?

The InChIKey is IMCPNTJAFZXLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-14(2)17-6-4-5-7-20(17)25-21(29)10-11-22-27-23(28-31-22)18-13-16-12-15(3)8-9-19(16)26-24(18)30/h4-9,12-14H,10-11H2,1-3H3,(H,25,29)(H,26,30).

What are the key properties of 3-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-propan-2-ylphenyl)propanamide?

3-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 416.48 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 135970417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).