2-(5-benzyl-8-fluoro-3-oxopyrazolo[4,3-c]quinolin-2-yl)-N-(3-chloro-2-methylphenyl)acetamide

C26H20ClFN4O2 — CID 20918755

About 2-(5-benzyl-8-fluoro-3-oxopyrazolo[4,3-c]quinolin-2-yl)-N-(3-chloro-2-methylphenyl)acetamide

2-(5-benzyl-8-fluoro-3-oxopyrazolo[4,3-c]quinolin-2-yl)-N-(3-chloro-2-methylphenyl)acetamide (PubChem CID 20918755) has the molecular formula C26H20ClFN4O2 and a molecular weight of 474.92 g/mol. Its IUPAC name is 2-(5-benzyl-8-fluoro-3-oxopyrazolo[4,3-c]quinolin-2-yl)-N-(3-chloro-2-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-(5-benzyl-8-fluoro-3-oxopyrazolo[4,3-c]quinolin-2-yl)-N-(3-chloro-2-methylphenyl)acetamide
• PubChem CID: 20918755
• Molecular Formula: C26H20ClFN4O2
• Molecular Weight: 474.92 g/mol
• Exact Mass: 474.13
• IUPAC Name: 2-(5-benzyl-8-fluoro-3-oxopyrazolo[4,3-c]quinolin-2-yl)-N-(3-chloro-2-methylphenyl)acetamide
• SMILES: Cc1c(Cl)cccc1NC(=O)Cn1nc2c3cc(F)ccc3n(Cc3ccccc3)cc-2c1=O
• InChI: InChI=1S/C26H20ClFN4O2/c1-16-21(27)8-5-9-22(16)29-24(33)15-32-26(34)20-14-31(13-17-6-3-2-4-7-17)23-11-10-18(28)12-19(23)25(20)30-32/h2-12,14H,13,15H2,1H3,(H,29,33)
• InChIKey: NSJFDMLDJVVGQI-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 68.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.92
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(5-benzyl-8-fluoro-3-oxopyrazolo[4,3-c]quinolin-2-yl)-N-(3-chloro-2-methylphenyl)acetamide?

The IUPAC name of 2-(5-benzyl-8-fluoro-3-oxopyrazolo[4,3-c]quinolin-2-yl)-N-(3-chloro-2-methylphenyl)acetamide (CID 20918755) is 2-(5-benzyl-8-fluoro-3-oxopyrazolo[4,3-c]quinolin-2-yl)-N-(3-chloro-2-methylphenyl)acetamide.

What is the SMILES notation for 2-(5-benzyl-8-fluoro-3-oxopyrazolo[4,3-c]quinolin-2-yl)-N-(3-chloro-2-methylphenyl)acetamide?

The canonical SMILES for 2-(5-benzyl-8-fluoro-3-oxopyrazolo[4,3-c]quinolin-2-yl)-N-(3-chloro-2-methylphenyl)acetamide is Cc1c(Cl)cccc1NC(=O)Cn1nc2c3cc(F)ccc3n(Cc3ccccc3)cc-2c1=O.

What is the InChIKey of 2-(5-benzyl-8-fluoro-3-oxopyrazolo[4,3-c]quinolin-2-yl)-N-(3-chloro-2-methylphenyl)acetamide?

The InChIKey is NSJFDMLDJVVGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClFN4O2/c1-16-21(27)8-5-9-22(16)29-24(33)15-32-26(34)20-14-31(13-17-6-3-2-4-7-17)23-11-10-18(28)12-19(23)25(20)30-32/h2-12,14H,13,15H2,1H3,(H,29,33).

What are the key properties of 2-(5-benzyl-8-fluoro-3-oxopyrazolo[4,3-c]quinolin-2-yl)-N-(3-chloro-2-methylphenyl)acetamide?

2-(5-benzyl-8-fluoro-3-oxopyrazolo[4,3-c]quinolin-2-yl)-N-(3-chloro-2-methylphenyl)acetamide has a molecular weight of 474.92 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-benzyl-8-fluoro-3-oxopyrazolo[4,3-c]quinolin-2-yl)-N-(3-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 20918755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).