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

C24H24N4O4 — CID 136777354

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

N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 136777354) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide
• PubChem CID: 136777354
• Molecular Formula: C24H24N4O4
• Molecular Weight: 432.48 g/mol
• Exact Mass: 432.18
• IUPAC Name: N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide
• SMILES: COc1ccc([C@H](C)NC(=O)CCc2nc(-c3cc4ccc(C)cc4[nH]c3=O)no2)cc1
• InChI: InChI=1S/C24H24N4O4/c1-14-4-5-17-13-19(24(30)26-20(17)12-14)23-27-22(32-28-23)11-10-21(29)25-15(2)16-6-8-18(31-3)9-7-16/h4-9,12-13,15H,10-11H2,1-3H3,(H,25,29)(H,26,30)/t15-/m0/s1
• InChIKey: PXEJZKJTZCTVSL-HNNXBMFYSA-N
• XLogP: 3.71
• TPSA: 110.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.48
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide (CID 136777354) is N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide.

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

The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide is COc1ccc([C@H](C)NC(=O)CCc2nc(-c3cc4ccc(C)cc4[nH]c3=O)no2)cc1.

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

The InChIKey is PXEJZKJTZCTVSL-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-14-4-5-17-13-19(24(30)26-20(17)12-14)23-27-22(32-28-23)11-10-21(29)25-15(2)16-6-8-18(31-3)9-7-16/h4-9,12-13,15H,10-11H2,1-3H3,(H,25,29)(H,26,30)/t15-/m0/s1.

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

N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 432.48 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 136777354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).