4-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide

C25H26N4O3 — CID 136825358

About 4-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide

4-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide (PubChem CID 136825358) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 4-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide.

Molecular Properties

• Compound Name: 4-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide
• PubChem CID: 136825358
• Molecular Formula: C25H26N4O3
• Molecular Weight: 430.51 g/mol
• Exact Mass: 430.20
• IUPAC Name: 4-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide
• SMILES: Cc1ccc([C@@H](C)NC(=O)CCCc2nc(-c3cc4ccc(C)cc4[nH]c3=O)no2)cc1
• InChI: InChI=1S/C25H26N4O3/c1-15-7-10-18(11-8-15)17(3)26-22(30)5-4-6-23-28-24(29-32-23)20-14-19-12-9-16(2)13-21(19)27-25(20)31/h7-14,17H,4-6H2,1-3H3,(H,26,30)(H,27,31)/t17-/m1/s1
• InChIKey: FEHAEIKHRNPUKJ-QGZVFWFLSA-N
• XLogP: 4.40
• TPSA: 100.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.51
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide?

The IUPAC name of 4-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide (CID 136825358) is 4-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide.

What is the SMILES notation for 4-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide?

The canonical SMILES for 4-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide is Cc1ccc([C@@H](C)NC(=O)CCCc2nc(-c3cc4ccc(C)cc4[nH]c3=O)no2)cc1.

What is the InChIKey of 4-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide?

The InChIKey is FEHAEIKHRNPUKJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-15-7-10-18(11-8-15)17(3)26-22(30)5-4-6-23-28-24(29-32-23)20-14-19-12-9-16(2)13-21(19)27-25(20)31/h7-14,17H,4-6H2,1-3H3,(H,26,30)(H,27,31)/t17-/m1/s1.

What are the key properties of 4-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide?

4-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide has a molecular weight of 430.51 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide is sourced from PubChem (CID 136825358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).