Danofloxacin

C₁₉H₂₀FN₃O₃ — CID 25273623

About Danofloxacin

Danofloxacin (PubChem CID 25273623) has the molecular formula C₁₉H₂₀FN₃O₃ and a molecular weight of 357.39 g/mol. Its IUPAC name is 1-cyclopropyl-6-fluoro-7-[(1S,4S)-5-methyl-2-aza-5-azoniabicyclo[2.2.1]heptan-2-yl]-4-oxoquinoline-3-carboxylate.

Molecular Properties

• Compound Name: Danofloxacin
• PubChem CID: 25273623
• Molecular Formula: C₁₉H₂₀FN₃O₃
• Molecular Weight: 357.39 g/mol
• Exact Mass: 357.15
• IUPAC Name: 1-cyclopropyl-6-fluoro-7-[(1S,4S)-5-methyl-2-aza-5-azoniabicyclo[2.2.1]heptan-2-yl]-4-oxoquinoline-3-carboxylate
• SMILES: C[NH+]1C[C@@H]2C[C@H]1CN2c1cc2c(cc1F)c(=O)c(C(=O)[O-])cn2C1CC1
• InChI: InChI=1S/C19H20FN3O3/c1-21-7-12-4-11(21)8-22(12)17-6-16-13(5-15(17)20)18(24)14(19(25)26)9-23(16)10-2-3-10/h5-6,9-12H,2-4,7-8H2,1H3,(H,25,26)/t11-,12-/m0/s1
• InChIKey: QMLVECGLEOSESV-RYUDHWBXSA-N
• XLogP: -0.69
• TPSA: 69.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.39
LogP ≤ 5	-0.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of Danofloxacin?

The IUPAC name of Danofloxacin (CID 25273623) is 1-cyclopropyl-6-fluoro-7-[(1S,4S)-5-methyl-2-aza-5-azoniabicyclo[2.2.1]heptan-2-yl]-4-oxoquinoline-3-carboxylate.

What is the SMILES notation for Danofloxacin?

The canonical SMILES for Danofloxacin is C[NH+]1C[C@@H]2C[C@H]1CN2c1cc2c(cc1F)c(=O)c(C(=O)[O-])cn2C1CC1.

What is the InChIKey of Danofloxacin?

The InChIKey is QMLVECGLEOSESV-RYUDHWBXSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-21-7-12-4-11(21)8-22(12)17-6-16-13(5-15(17)20)18(24)14(19(25)26)9-23(16)10-2-3-10/h5-6,9-12H,2-4,7-8H2,1H3,(H,25,26)/t11-,12-/m0/s1.

What are the key properties of Danofloxacin?

Danofloxacin has a molecular weight of 357.39 g/mol, XLogP of -0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Danofloxacin is sourced from PubChem (CID 25273623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 25273623 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 5669 — approved-drug record (CC BY-SA 4.0)

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