4-[(2-methylquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)cyclobutyl]benzamide

C24H22N4O3S — CID 143650607

About 4-[(2-methylquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)cyclobutyl]benzamide

4-[(2-methylquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)cyclobutyl]benzamide (PubChem CID 143650607) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is 4-[(2-methylquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)cyclobutyl]benzamide.

Molecular Properties

• Compound Name: 4-[(2-methylquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)cyclobutyl]benzamide
• PubChem CID: 143650607
• Molecular Formula: C24H22N4O3S
• Molecular Weight: 446.53 g/mol
• Exact Mass: 446.14
• IUPAC Name: 4-[(2-methylquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)cyclobutyl]benzamide
• SMILES: Cc1cc(COc2ccc(C(=O)NC3CCC3c3n[nH]c(=O)s3)cc2)c2ccccc2n1
• InChI: InChI=1S/C24H22N4O3S/c1-14-12-16(18-4-2-3-5-20(18)25-14)13-31-17-8-6-15(7-9-17)22(29)26-21-11-10-19(21)23-27-28-24(30)32-23/h2-9,12,19,21H,10-11,13H2,1H3,(H,26,29)(H,28,30)
• InChIKey: IYZYGBSHBKNUQR-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 96.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.53
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)cyclobutyl]benzamide?

The IUPAC name of 4-[(2-methylquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)cyclobutyl]benzamide (CID 143650607) is 4-[(2-methylquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)cyclobutyl]benzamide.

What is the SMILES notation for 4-[(2-methylquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)cyclobutyl]benzamide?

The canonical SMILES for 4-[(2-methylquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)cyclobutyl]benzamide is Cc1cc(COc2ccc(C(=O)NC3CCC3c3n[nH]c(=O)s3)cc2)c2ccccc2n1.

What is the InChIKey of 4-[(2-methylquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)cyclobutyl]benzamide?

The InChIKey is IYZYGBSHBKNUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-14-12-16(18-4-2-3-5-20(18)25-14)13-31-17-8-6-15(7-9-17)22(29)26-21-11-10-19(21)23-27-28-24(30)32-23/h2-9,12,19,21H,10-11,13H2,1H3,(H,26,29)(H,28,30).

What are the key properties of 4-[(2-methylquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)cyclobutyl]benzamide?

4-[(2-methylquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)cyclobutyl]benzamide has a molecular weight of 446.53 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2-methylquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)cyclobutyl]benzamide is sourced from PubChem (CID 143650607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).