N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide

C21H18ClN3O4S — CID 33172797

About N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide

N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide (PubChem CID 33172797) has the molecular formula C21H18ClN3O4S and a molecular weight of 443.91 g/mol. Its IUPAC name is N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide.

Molecular Properties

• Compound Name: N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
• PubChem CID: 33172797
• Molecular Formula: C21H18ClN3O4S
• Molecular Weight: 443.91 g/mol
• Exact Mass: 443.07
• IUPAC Name: N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
• SMILES: COc1ccc(-c2csc(NC(=O)COc3ccc4c(c3)CCC(=O)N4)n2)cc1Cl
• InChI: InChI=1S/C21H18ClN3O4S/c1-28-18-6-2-13(9-15(18)22)17-11-30-21(24-17)25-20(27)10-29-14-4-5-16-12(8-14)3-7-19(26)23-16/h2,4-6,8-9,11H,3,7,10H2,1H3,(H,23,26)(H,24,25,27)
• InChIKey: OBKRLGRVCVUODL-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 89.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.91
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?

The IUPAC name of N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide (CID 33172797) is N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide.

What is the SMILES notation for N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?

The canonical SMILES for N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide is COc1ccc(-c2csc(NC(=O)COc3ccc4c(c3)CCC(=O)N4)n2)cc1Cl.

What is the InChIKey of N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?

The InChIKey is OBKRLGRVCVUODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O4S/c1-28-18-6-2-13(9-15(18)22)17-11-30-21(24-17)25-20(27)10-29-14-4-5-16-12(8-14)3-7-19(26)23-16/h2,4-6,8-9,11H,3,7,10H2,1H3,(H,23,26)(H,24,25,27).

What are the key properties of N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?

N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide has a molecular weight of 443.91 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide is sourced from PubChem (CID 33172797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).