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1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid

CAS 112811-72-0Formula C14H11F2NO4MW 295.24PubChem 7019465

1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid is a quinoline derivative, structurally related to fluoroquinolone antibiotics like moxifloxacin. It is primarily used in research as a chemical intermediate or for studies involving antibacterial agents and their structural analogs.

Loading RDKit molecule structure...
InChIKey: WQJZXSSAMGZVTM-UHFFFAOYSA-NC14H11F2NO4 | MW 295.24

Chemical Identity

Molecular Formula

C14H11F2NO4

Molecular Weight

295.24 g/mol

Exact Mass

295.065614

PubChem CID

7019465

IUPAC Name

1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid

SMILES String

COc1c(F)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

Names & Synonyms

601-205-31-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid1-Cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acidAntibacterial agent 265EKQ5B89ZK4
Show all synonyms
3-Quinolinecarboxylic acid, 1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-C14H11F2NO41-cyclopropyl-6,7-difluoro-8-methoxy-1,4-dihydro-4-oxoquinoline-3-carboxylic acidMoxifloxacin Impurity 121-Cyclopropyl-6,7-difluoro-8-methoxy-4-quinolone-3-carboxylic acid1-Cyclopropyl-6,7- fluoro-8-methoxy-1,4-dihydro-4-oxo-3-quinoline carboxylic acidMoxifloxacin Q acidCiprofloxacin Difluoro 8-Methoxy ImpurityUNII-EKQ5B89ZK41-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxylic acidHMS2857A20
External Identifiers
RefChem:431950MFCD05864420MLS001215934SCHEMBL483223CHEMBL1425316SCHEMBL29393776DTXSID30427125ALBB-015403BBL012466STK261871AKOS002332025

Catalog Overview

This compound, with CAS 112811-72-0, is a synthetic organic chemical characterized by a cyclopropyl group, two fluorine atoms, and a methoxy group attached to a quinoline carboxylic acid core. It is recognized as an impurity or a related compound in the synthesis of moxifloxacin, a broad-spectrum fluoroquinolone antibiotic. Researchers may utilize this compound for structure-activity relationship studies, synthetic pathway investigations, or as a reference standard in analytical chemistry related to quinolone derivatives. Its 'druglike_bioactive_like' structural bucket suggests potential for further pharmacological exploration in...

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Read more catalog context

This compound, with CAS 112811-72-0, is a synthetic organic chemical characterized by a cyclopropyl group, two fluorine atoms, and a methoxy group attached to a quinoline carboxylic acid core. It is recognized as an impurity or a related compound in the synthesis of moxifloxacin, a broad-spectrum fluoroquinolone antibiotic. Researchers may utilize this compound for structure-activity relationship studies, synthetic pathway investigations, or as a reference standard in analytical chemistry related to quinolone derivatives. Its 'druglike_bioactive_like' structural bucket suggests potential for further pharmacological exploration in research settings.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White crystalline solid

Physical State

Solid

Melting Point

230.0 °C

Boiling Point

450.0 °C

Density

1.46 g/cm³

Water Solubility

>44.3 [ug/mL] (The mean of the results at pH 7.4)

Flash Point

225.6 °C

Applications / Classifications

Research intermediateCustom synthesis building block

Biological Target Reference

No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.

Preliminary Safety-Style Reference

Preliminary

Preliminary safety-style information for reference only. Not a supplier SDS.

Handling and Storage
  • Always wear appropriate personal protective equipment (PPE), including gloves, eye protection, and a lab coat. Work in a well-ventilated area or fume hood. Avoid inhalation, ingestion, and skin contact. Store in a cool, dry place away from incompatible materials. Refer to the Safety Data Sheet (SDS) for comprehensive safety information before handling.

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