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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...

Use Context

  • Research chemical sourcing
  • Custom synthesis and catalog availability review
  • COA, SDS, pricing, and fulfillment workflow
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.

Related Products / Graph Discovery

Related products, derivatives, keywords, and application cues for catalog discovery.

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Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 293349GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

Compliance cues are non-linked reference tags and require shipment review.

Catalog navigation

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.