3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]-N-[(2S)-4-phenylbutan-2-yl]-1,2,4-oxadiazole-5-carboxamide

C23H24N4O4 — CID 39341350

About 3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]-N-[(2S)-4-phenylbutan-2-yl]-1,2,4-oxadiazole-5-carboxamide

3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]-N-[(2S)-4-phenylbutan-2-yl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 39341350) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]-N-[(2S)-4-phenylbutan-2-yl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]-N-[(2S)-4-phenylbutan-2-yl]-1,2,4-oxadiazole-5-carboxamide
• PubChem CID: 39341350
• Molecular Formula: C23H24N4O4
• Molecular Weight: 420.47 g/mol
• Exact Mass: 420.18
• IUPAC Name: 3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]-N-[(2S)-4-phenylbutan-2-yl]-1,2,4-oxadiazole-5-carboxamide
• SMILES: C[C@@H](CCc1ccccc1)NC(=O)c1nc(COc2ccc3c(c2)NC(=O)CC3)no1
• InChI: InChI=1S/C23H24N4O4/c1-15(7-8-16-5-3-2-4-6-16)24-22(29)23-26-20(27-31-23)14-30-18-11-9-17-10-12-21(28)25-19(17)13-18/h2-6,9,11,13,15H,7-8,10,12,14H2,1H3,(H,24,29)(H,25,28)/t15-/m0/s1
• InChIKey: JSPIIDNEEWMDOO-HNNXBMFYSA-N
• XLogP: 3.28
• TPSA: 106.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.47
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]-N-[(2S)-4-phenylbutan-2-yl]-1,2,4-oxadiazole-5-carboxamide?

The IUPAC name of 3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]-N-[(2S)-4-phenylbutan-2-yl]-1,2,4-oxadiazole-5-carboxamide (CID 39341350) is 3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]-N-[(2S)-4-phenylbutan-2-yl]-1,2,4-oxadiazole-5-carboxamide.

What is the SMILES notation for 3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]-N-[(2S)-4-phenylbutan-2-yl]-1,2,4-oxadiazole-5-carboxamide?

The canonical SMILES for 3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]-N-[(2S)-4-phenylbutan-2-yl]-1,2,4-oxadiazole-5-carboxamide is C[C@@H](CCc1ccccc1)NC(=O)c1nc(COc2ccc3c(c2)NC(=O)CC3)no1.

What is the InChIKey of 3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]-N-[(2S)-4-phenylbutan-2-yl]-1,2,4-oxadiazole-5-carboxamide?

The InChIKey is JSPIIDNEEWMDOO-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-15(7-8-16-5-3-2-4-6-16)24-22(29)23-26-20(27-31-23)14-30-18-11-9-17-10-12-21(28)25-19(17)13-18/h2-6,9,11,13,15H,7-8,10,12,14H2,1H3,(H,24,29)(H,25,28)/t15-/m0/s1.

What are the key properties of 3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]-N-[(2S)-4-phenylbutan-2-yl]-1,2,4-oxadiazole-5-carboxamide?

3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]-N-[(2S)-4-phenylbutan-2-yl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]-N-[(2S)-4-phenylbutan-2-yl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 39341350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).