8-chloro-1-cyclopropyl-6-fluoro-7-(1-methylpiperidin-4-yl)oxy-4-oxoquinoline-3-carboxylic acid

C19H20ClFN2O4 — CID 54524977

About 8-chloro-1-cyclopropyl-6-fluoro-7-(1-methylpiperidin-4-yl)oxy-4-oxoquinoline-3-carboxylic acid

8-chloro-1-cyclopropyl-6-fluoro-7-(1-methylpiperidin-4-yl)oxy-4-oxoquinoline-3-carboxylic acid (PubChem CID 54524977) has the molecular formula C19H20ClFN2O4 and a molecular weight of 394.83 g/mol. Its IUPAC name is 8-chloro-1-cyclopropyl-6-fluoro-7-(1-methylpiperidin-4-yl)oxy-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

• Compound Name: 8-chloro-1-cyclopropyl-6-fluoro-7-(1-methylpiperidin-4-yl)oxy-4-oxoquinoline-3-carboxylic acid
• PubChem CID: 54524977
• Molecular Formula: C19H20ClFN2O4
• Molecular Weight: 394.83 g/mol
• Exact Mass: 394.11
• IUPAC Name: 8-chloro-1-cyclopropyl-6-fluoro-7-(1-methylpiperidin-4-yl)oxy-4-oxoquinoline-3-carboxylic acid
• SMILES: CN1CCC(Oc2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)CC1
• InChI: InChI=1S/C19H20ClFN2O4/c1-22-6-4-11(5-7-22)27-18-14(21)8-12-16(15(18)20)23(10-2-3-10)9-13(17(12)24)19(25)26/h8-11H,2-7H2,1H3,(H,25,26)
• InChIKey: YSMMCZATFPKPOE-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 71.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.83
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-cyclopropyl-6-fluoro-7-(1-methylpiperidin-4-yl)oxy-4-oxoquinoline-3-carboxylic acid?

The IUPAC name of 8-chloro-1-cyclopropyl-6-fluoro-7-(1-methylpiperidin-4-yl)oxy-4-oxoquinoline-3-carboxylic acid (CID 54524977) is 8-chloro-1-cyclopropyl-6-fluoro-7-(1-methylpiperidin-4-yl)oxy-4-oxoquinoline-3-carboxylic acid.

What is the SMILES notation for 8-chloro-1-cyclopropyl-6-fluoro-7-(1-methylpiperidin-4-yl)oxy-4-oxoquinoline-3-carboxylic acid?

The canonical SMILES for 8-chloro-1-cyclopropyl-6-fluoro-7-(1-methylpiperidin-4-yl)oxy-4-oxoquinoline-3-carboxylic acid is CN1CCC(Oc2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)CC1.

What is the InChIKey of 8-chloro-1-cyclopropyl-6-fluoro-7-(1-methylpiperidin-4-yl)oxy-4-oxoquinoline-3-carboxylic acid?

The InChIKey is YSMMCZATFPKPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O4/c1-22-6-4-11(5-7-22)27-18-14(21)8-12-16(15(18)20)23(10-2-3-10)9-13(17(12)24)19(25)26/h8-11H,2-7H2,1H3,(H,25,26).

What are the key properties of 8-chloro-1-cyclopropyl-6-fluoro-7-(1-methylpiperidin-4-yl)oxy-4-oxoquinoline-3-carboxylic acid?

8-chloro-1-cyclopropyl-6-fluoro-7-(1-methylpiperidin-4-yl)oxy-4-oxoquinoline-3-carboxylic acid has a molecular weight of 394.83 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-1-cyclopropyl-6-fluoro-7-(1-methylpiperidin-4-yl)oxy-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 54524977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).