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

C23H22N4O3 — CID 135970389

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

3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 135970389) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

• Compound Name: 3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]propanamide
• PubChem CID: 135970389
• Molecular Formula: C23H22N4O3
• Molecular Weight: 402.45 g/mol
• Exact Mass: 402.17
• IUPAC Name: 3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]propanamide
• SMILES: Cc1ccc(CNC(=O)CCc2nc(-c3cc4ccc(C)cc4[nH]c3=O)no2)cc1
• InChI: InChI=1S/C23H22N4O3/c1-14-3-6-16(7-4-14)13-24-20(28)9-10-21-26-22(27-30-21)18-12-17-8-5-15(2)11-19(17)25-23(18)29/h3-8,11-12H,9-10,13H2,1-2H3,(H,24,28)(H,25,29)
• InChIKey: RMJVEPCGYVJZGP-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 100.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.45
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]propanamide (CID 135970389) is 3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]propanamide.

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

The canonical SMILES for 3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)CCc2nc(-c3cc4ccc(C)cc4[nH]c3=O)no2)cc1.

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

The InChIKey is RMJVEPCGYVJZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-14-3-6-16(7-4-14)13-24-20(28)9-10-21-26-22(27-30-21)18-12-17-8-5-15(2)11-19(17)25-23(18)29/h3-8,11-12H,9-10,13H2,1-2H3,(H,24,28)(H,25,29).

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

3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 402.45 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 135970389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).