Flumequine

C₁₄H₁₂FNO₃ — CID 3374

About Flumequine

Flumequine (PubChem CID 3374) has the molecular formula C₁₄H₁₂FNO₃ and a molecular weight of 261.25 g/mol. Its IUPAC name is 7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid.

Molecular Properties

• Compound Name: Flumequine
• PubChem CID: 3374
• Molecular Formula: C₁₄H₁₂FNO₃
• Molecular Weight: 261.25 g/mol
• Exact Mass: 261.08
• IUPAC Name: 7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid
• SMILES: CC1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23
• InChI: InChI=1S/C14H12FNO3/c1-7-2-3-8-4-9(15)5-10-12(8)16(7)6-11(13(10)17)14(18)19/h4-7H,2-3H2,1H3,(H,18,19)
• InChIKey: DPSPPJIUMHPXMA-UHFFFAOYSA-N
• XLogP: 2.35
• TPSA: 59.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	261.25
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Flumequine?

The IUPAC name of Flumequine (CID 3374) is 7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid.

What is the SMILES notation for Flumequine?

The canonical SMILES for Flumequine is CC1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23.

What is the InChIKey of Flumequine?

The InChIKey is DPSPPJIUMHPXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-7-2-3-8-4-9(15)5-10-12(8)16(7)6-11(13(10)17)14(18)19/h4-7H,2-3H2,1H3,(H,18,19).

What are the key properties of Flumequine?

Flumequine has a molecular weight of 261.25 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Flumequine is sourced from PubChem (CID 3374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3374 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1197 — approved-drug record (CC BY-SA 4.0)

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