Ofloxacin

C₁₈H₂₀FN₃O₄ — CID 4583

About Ofloxacin

Ofloxacin (PubChem CID 4583) has the molecular formula C₁₈H₂₀FN₃O₄ and a molecular weight of 361.37 g/mol. Its IUPAC name is 7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid.

Molecular Properties

• Compound Name: Ofloxacin
• PubChem CID: 4583
• Molecular Formula: C₁₈H₂₀FN₃O₄
• Molecular Weight: 361.37 g/mol
• Exact Mass: 361.14
• IUPAC Name: 7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
• SMILES: CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
• InChI: InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)
• InChIKey: GSDSWSVVBLHKDQ-UHFFFAOYSA-N
• XLogP: 1.54
• TPSA: 75.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.37
LogP ≤ 5	1.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of Ofloxacin?

The IUPAC name of Ofloxacin (CID 4583) is 7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid.

What is the SMILES notation for Ofloxacin?

The canonical SMILES for Ofloxacin is CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23.

What is the InChIKey of Ofloxacin?

The InChIKey is GSDSWSVVBLHKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25).

What are the key properties of Ofloxacin?

Ofloxacin has a molecular weight of 361.37 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Ofloxacin is sourced from PubChem (CID 4583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 4583 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1981 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.