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

Basic Information

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CAS Number

112811-72-0

Molecular Formula

C14H11F2NO4

Molecular Weight

295.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Powder

Melting Point

192-194°C

Boiling Point

245.2°C at 760 mmHg

SMILES

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COC1=C2C(=CC(=C1F)F)C(=O)C(=CN2C3CC3)C(=O)O

InChI

InChI=1S/C14H11F2NO4/c1-21-13-10(16)9(15)4-7-11(13)17(6-2-3-6)5-8(12(7)18)14(19)20/h4-6H,2-3H2,1H3,(H,19,20)

InChIKey

WQJZXSSAMGZVTM-UHFFFAOYSA-N

LogP

2.3214

Topological Polar Surface Area

68.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

505

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

1-CYCLOPROPYL-6,7-DIFLUORO-8-METHOXY-1,4-DIHYDRO-4-OXO-QUINOLINE-3-CARBOXYLIC ACID
1-Cyclopropyl-1,4-dihydro-6,7-difluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid
EKQ5B89ZK4
1-cyclopropyl-6,7-difluoro-1,4 dihydro-8-methoxy-4-oxo-3-quinoline carboxylic acid
1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid
1-Cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid
FT-0686394
HMS2857A20
AM20061812
AKOS002332025
1-cyclopropyl-6,7-difluoro-1.4 dihydro-8-methoxy-4-oxo-3-quinoline carboxylic acid
1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid
AC-8368
CHEMBL1425316
FT-0633381
1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxoquinoline-3carboxylic acid
PD095783
1-CYCLOPROPYL-6,7-DIFLUORO-8-METHOXY-1,4-DIHYDRO-4-OXY-QUINOLINE-3-CARBOXYLIC ACID
112811-72-0
1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-Quinoline-3-carboxylic acid
1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylicacid
WQJZXSSAMGZVTM-UHFFFAOYSA-N
SCHEMBL483223
CS-W019415
FT-0601426
1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxoquinoline-3-carboxylic acid
1-cyclopropyl-1,4-dihydro-4-oxo-6,7-difluoro-8-methoxy-3-quinoline carboxylic acid
BCP34174
1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinoline carboxylic acid
SMR000544699
1-Cyclopropyl-6,7-difluoro-8-methoxy-4-quinolone-3-carboxylic acid

MDL Number

MFCD05864420

Customs Code

2918990090

FAQ

What is 1-Cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid (CAS: 112811-72-0)?

1-Cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid (CAS: 112811-72-0) is a synthetic organic compound characterized by a quinoline ring with substituents including a cyclopropyl group, two fluorine atoms, and a methoxy group. It is a white to light yellow solid with moderate solubility in polar solvents. The compound is known for its potential applications in pharmaceutical research due to its complex molecular structure and functional groups.

What are the main uses of 1-Cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid (CAS: 112811-72-0)?

This compound is primarily used in pharmaceutical research as a potential lead molecule for drug development. It may be employed in the synthesis of various bioactive compounds due to its quinoline core and substituents, which can be modified to target specific biological pathways. Its applications are also explored in organic chemistry for studying structure-activity relationships and chemical reactivity.

Is 1-Cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid (CAS: 112811-72-0) safe?

The safety of 1-Cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid (CAS: 112811-72-0) depends on its handling and application. It is generally considered safe when used in controlled laboratory conditions, but appropriate safety measures should be taken to avoid exposure. Protective equipment such as gloves and goggles is recommended during handling, and it should be stored in a secure area away from incompatible substances.

How should 1-Cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid (CAS: 112811-72-0) be stored?

1-Cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid (CAS: 112811-72-0) should be stored in a cool, dry, and well-ventilated place, away from light and moisture. It is best kept in a sealed container to maintain its stability. Proper storage conditions are essential to prevent degradation and ensure the compound remains effective for research or industrial use.