N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

C20H20N4O3S — CID 126786079

About N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 126786079) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

• Compound Name: N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
• PubChem CID: 126786079
• Molecular Formula: C20H20N4O3S
• Molecular Weight: 396.47 g/mol
• Exact Mass: 396.13
• IUPAC Name: N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
• SMILES: CCN1C(=O)CCc2cc(NC(=O)CCc3nnc(-c4ccsc4)o3)ccc21
• InChI: InChI=1S/C20H20N4O3S/c1-2-24-16-5-4-15(11-13(16)3-8-19(24)26)21-17(25)6-7-18-22-23-20(27-18)14-9-10-28-12-14/h4-5,9-12H,2-3,6-8H2,1H3,(H,21,25)
• InChIKey: YUZJGIHHKQQHMG-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.47
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?

The IUPAC name of N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 126786079) is N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.

What is the SMILES notation for N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?

The canonical SMILES for N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is CCN1C(=O)CCc2cc(NC(=O)CCc3nnc(-c4ccsc4)o3)ccc21.

What is the InChIKey of N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?

The InChIKey is YUZJGIHHKQQHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-2-24-16-5-4-15(11-13(16)3-8-19(24)26)21-17(25)6-7-18-22-23-20(27-18)14-9-10-28-12-14/h4-5,9-12H,2-3,6-8H2,1H3,(H,21,25).

What are the key properties of N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?

N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 396.47 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 126786079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).