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

C22H20N4O4S — CID 143650677

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

4-[(2-methoxyquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide (PubChem CID 143650677) has the molecular formula C22H20N4O4S and a molecular weight of 436.49 g/mol. Its IUPAC name is 4-[(2-methoxyquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide.

Molecular Properties

• Compound Name: 4-[(2-methoxyquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide
• PubChem CID: 143650677
• Molecular Formula: C22H20N4O4S
• Molecular Weight: 436.49 g/mol
• Exact Mass: 436.12
• IUPAC Name: 4-[(2-methoxyquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide
• SMILES: COc1cc(COc2ccc(C(=O)NCCc3n[nH]c(=O)s3)cc2)c2ccccc2n1
• InChI: InChI=1S/C22H20N4O4S/c1-29-19-12-15(17-4-2-3-5-18(17)24-19)13-30-16-8-6-14(7-9-16)21(27)23-11-10-20-25-26-22(28)31-20/h2-9,12H,10-11,13H2,1H3,(H,23,27)(H,26,28)
• InChIKey: SJSYYHFLMMIVCG-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 106.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.49
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-[(2-methoxyquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide (CID 143650677) is 4-[(2-methoxyquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide.

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

The canonical SMILES for 4-[(2-methoxyquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide is COc1cc(COc2ccc(C(=O)NCCc3n[nH]c(=O)s3)cc2)c2ccccc2n1.

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

The InChIKey is SJSYYHFLMMIVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4S/c1-29-19-12-15(17-4-2-3-5-18(17)24-19)13-30-16-8-6-14(7-9-16)21(27)23-11-10-20-25-26-22(28)31-20/h2-9,12H,10-11,13H2,1H3,(H,23,27)(H,26,28).

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

4-[(2-methoxyquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide has a molecular weight of 436.49 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2-methoxyquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 143650677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).