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

C24H17F2N3O3 — CID 53000940

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

2-[7-fluoro-6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-fluorophenyl)acetamide (PubChem CID 53000940) has the molecular formula C24H17F2N3O3 and a molecular weight of 433.41 g/mol. Its IUPAC name is 2-[7-fluoro-6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[7-fluoro-6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-fluorophenyl)acetamide
• PubChem CID: 53000940
• Molecular Formula: C24H17F2N3O3
• Molecular Weight: 433.41 g/mol
• Exact Mass: 433.12
• IUPAC Name: 2-[7-fluoro-6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-fluorophenyl)acetamide
• SMILES: Cc1cc2c(=O)c(C(=O)c3ccncc3)cn(CC(=O)Nc3cccc(F)c3)c2cc1F
• InChI: InChI=1S/C24H17F2N3O3/c1-14-9-18-21(11-20(14)26)29(13-22(30)28-17-4-2-3-16(25)10-17)12-19(24(18)32)23(31)15-5-7-27-8-6-15/h2-12H,13H2,1H3,(H,28,30)
• InChIKey: SBQGDIJCFJGDBB-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 81.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.41
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[7-fluoro-6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-fluorophenyl)acetamide (CID 53000940) is 2-[7-fluoro-6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-fluorophenyl)acetamide.

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

The canonical SMILES for 2-[7-fluoro-6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-fluorophenyl)acetamide is Cc1cc2c(=O)c(C(=O)c3ccncc3)cn(CC(=O)Nc3cccc(F)c3)c2cc1F.

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

The InChIKey is SBQGDIJCFJGDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N3O3/c1-14-9-18-21(11-20(14)26)29(13-22(30)28-17-4-2-3-16(25)10-17)12-19(24(18)32)23(31)15-5-7-27-8-6-15/h2-12H,13H2,1H3,(H,28,30).

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

2-[7-fluoro-6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-fluorophenyl)acetamide has a molecular weight of 433.41 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-fluoro-6-methyl-4-oxo-3-(pyridine-4-carbonyl)quinolin-1-yl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 53000940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).