Prulifloxacin

C₂₁H₂₀FN₃O₆S — CID 4916641

About Prulifloxacin

Prulifloxacin (PubChem CID 4916641) has the molecular formula C₂₁H₂₀FN₃O₆S and a molecular weight of 461.47 g/mol. Its IUPAC name is 6-fluoro-1-methyl-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-4-ium-1-yl]-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate.

Molecular Properties

• Compound Name: Prulifloxacin
• PubChem CID: 4916641
• Molecular Formula: C₂₁H₂₀FN₃O₆S
• Molecular Weight: 461.47 g/mol
• Exact Mass: 461.11
• IUPAC Name: 6-fluoro-1-methyl-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-4-ium-1-yl]-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
• SMILES: Cc1oc(=O)oc1C[NH+]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])c2n3C(C)S2)CC1
• InChI: InChI=1S/C21H20FN3O6S/c1-10-16(31-21(29)30-10)9-23-3-5-24(6-4-23)15-8-14-12(7-13(15)22)18(26)17(20(27)28)19-25(14)11(2)32-19/h7-8,11H,3-6,9H2,1-2H3,(H,27,28)
• InChIKey: PWNMXPDKBYZCOO-UHFFFAOYSA-N
• XLogP: -0.11
• TPSA: 113.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.47
LogP ≤ 5	-0.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of Prulifloxacin?

The IUPAC name of Prulifloxacin (CID 4916641) is 6-fluoro-1-methyl-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-4-ium-1-yl]-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate.

What is the SMILES notation for Prulifloxacin?

The canonical SMILES for Prulifloxacin is Cc1oc(=O)oc1C[NH+]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])c2n3C(C)S2)CC1.

What is the InChIKey of Prulifloxacin?

The InChIKey is PWNMXPDKBYZCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O6S/c1-10-16(31-21(29)30-10)9-23-3-5-24(6-4-23)15-8-14-12(7-13(15)22)18(26)17(20(27)28)19-25(14)11(2)32-19/h7-8,11H,3-6,9H2,1-2H3,(H,27,28).

What are the key properties of Prulifloxacin?

Prulifloxacin has a molecular weight of 461.47 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for Prulifloxacin is sourced from PubChem (CID 4916641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 4916641 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2325 — approved-drug record (CC BY-SA 4.0)

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