N-(5-chloro-2-methoxyphenyl)-2-[7-fluoro-6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide

C25H19ClFN3O4 — CID 53000945

About N-(5-chloro-2-methoxyphenyl)-2-[7-fluoro-6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[7-fluoro-6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide (PubChem CID 53000945) has the molecular formula C25H19ClFN3O4 and a molecular weight of 479.90 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[7-fluoro-6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-methoxyphenyl)-2-[7-fluoro-6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
• PubChem CID: 53000945
• Molecular Formula: C25H19ClFN3O4
• Molecular Weight: 479.90 g/mol
• Exact Mass: 479.10
• IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-[7-fluoro-6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide
• SMILES: COc1ccc(Cl)cc1NC(=O)Cn1cc(C(=O)c2ccncc2)c(=O)c2cc(C)c(F)cc21
• InChI: InChI=1S/C25H19ClFN3O4/c1-14-9-17-21(11-19(14)27)30(12-18(25(17)33)24(32)15-5-7-28-8-6-15)13-23(31)29-20-10-16(26)3-4-22(20)34-2/h3-12H,13H2,1-2H3,(H,29,31)
• InChIKey: SQRXXTNODOJDGB-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 90.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.90
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[7-fluoro-6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide?

The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[7-fluoro-6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide (CID 53000945) is N-(5-chloro-2-methoxyphenyl)-2-[7-fluoro-6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide.

What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[7-fluoro-6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide?

The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[7-fluoro-6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide is COc1ccc(Cl)cc1NC(=O)Cn1cc(C(=O)c2ccncc2)c(=O)c2cc(C)c(F)cc21.

What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[7-fluoro-6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide?

The InChIKey is SQRXXTNODOJDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClFN3O4/c1-14-9-17-21(11-19(14)27)30(12-18(25(17)33)24(32)15-5-7-28-8-6-15)13-23(31)29-20-10-16(26)3-4-22(20)34-2/h3-12H,13H2,1-2H3,(H,29,31).

What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[7-fluoro-6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide?

N-(5-chloro-2-methoxyphenyl)-2-[7-fluoro-6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide has a molecular weight of 479.90 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-methoxyphenyl)-2-[7-fluoro-6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]acetamide is sourced from PubChem (CID 53000945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).