N-(3,5-dimethylphenyl)-4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanamide

C24H24N4O3 — CID 135896856

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

N-(3,5-dimethylphenyl)-4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanamide (PubChem CID 135896856) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanamide.

Molecular Properties

• Compound Name: N-(3,5-dimethylphenyl)-4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanamide
• PubChem CID: 135896856
• Molecular Formula: C24H24N4O3
• Molecular Weight: 416.48 g/mol
• Exact Mass: 416.18
• IUPAC Name: N-(3,5-dimethylphenyl)-4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanamide
• SMILES: Cc1cc(C)cc(NC(=O)CCCc2nc(-c3cc4cc(C)ccc4[nH]c3=O)no2)c1
• InChI: InChI=1S/C24H24N4O3/c1-14-7-8-20-17(10-14)13-19(24(30)26-20)23-27-22(31-28-23)6-4-5-21(29)25-18-11-15(2)9-16(3)12-18/h7-13H,4-6H2,1-3H3,(H,25,29)(H,26,30)
• InChIKey: WEJDMSOEDOERRD-UHFFFAOYSA-N
• XLogP: 4.46
• 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	4.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(3,5-dimethylphenyl)-4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanamide (CID 135896856) is N-(3,5-dimethylphenyl)-4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanamide.

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

The canonical SMILES for N-(3,5-dimethylphenyl)-4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanamide is Cc1cc(C)cc(NC(=O)CCCc2nc(-c3cc4cc(C)ccc4[nH]c3=O)no2)c1.

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

The InChIKey is WEJDMSOEDOERRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-14-7-8-20-17(10-14)13-19(24(30)26-20)23-27-22(31-28-23)6-4-5-21(29)25-18-11-15(2)9-16(3)12-18/h7-13H,4-6H2,1-3H3,(H,25,29)(H,26,30).

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

N-(3,5-dimethylphenyl)-4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanamide has a molecular weight of 416.48 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dimethylphenyl)-4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanamide is sourced from PubChem (CID 135896856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).