2-(4-Isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-3-quinolinecarboxylic acid

Basic Information

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CAS Number

81335-37-7

Molecular Formula

C17H17N3O3

Molecular Weight

311.34 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Basic Physical Properties

Melting Point

219-224 ºC

Boiling Point

451.38°C (rough estimate)

Density

1.1420 (rough estimate)

Refractive Index

1.6500 (estimate)

SMILES

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CC(C)C1(C)N=C(NC1=O)C2=NC3=CC=CC=C3C=C2C(O)=O

InChI

InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)

InChIKey

CABMTIJINOIHOD-UHFFFAOYSA-N

LogP

2.2241

Topological Polar Surface Area

91.65 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

545

Safety Information

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GHS Hazard Pictograms

H312

Hazard Statement

H312 Harmful in contact with skin
Acute toxicity, dermal

Toxicity

LD50 orally in rats: 5000 mg/kg; LC50 (96 hr) in rainbow trout: 100 mg/l (Congleton)

Synonyms & References

English

Imazaquin acid
Imazaquin
Imazaquin Solution
2-[(RS)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]quinoline-3-carboxylic acid
2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-3-quinolinecarboxylic acid
ac252,214
Image
rac-2-[(4R)-4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]quinoline-3-carboxylic acid
SCEPTER
2-(4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-3-quinolinecarboxylic acid
2-(5-Isopropyl-5-methyl-4-oxo-2-imidazolin-2-yl)-3-quinolinecarboxylic acid

MDL Number

MFCD00778521

FAQ

What regulatory guidelines apply to 2-(4-Isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-3-quinolinecarboxylic acid (CAS: 81335-37-7)?

2-(4-Isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-3-quinolinecarboxylic acid (CAS: 81335-37-7) must comply with GHS classification for health hazards, REACH regulations for registration, evaluation, authorization, and restriction of chemicals, and FDA/EPA guidelines for pharmaceutical and environmental safety. It is essential to consult the latest regulatory documents for specific requirements.

Are there alternatives to 2-(4-Isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-3-quinolinecarboxylic acid (CAS: 81335-37-7) in its synthesis?

Alternatives to 2-(4-Isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-3-quinolinecarboxylic acid (CAS: 81335-37-7) in synthesis include other imidazol-2-yl derivatives and quinoline-based compounds. Common alternatives include 2-quinolinecarboxylic acid and 2-(4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-3-quinolinecarboxylic acid, which can serve as more readily available reagents.

What is the market or research trend for 2-(4-Isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-3-quinolinecarboxylic acid (CAS: 81335-37-7)?

The market and research trends for 2-(4-Isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-3-quinolinecarboxylic acid (CAS: 81335-37-7) are focused on its potential applications in antiviral and anti-inflammatory drug discovery. Researchers are exploring its use in developing new therapeutic agents for various diseases, driven by increasing demand and positive preliminary studies.

How should waste containing 2-(4-Isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-3-quinolinecarboxylic acid (CAS: 81335-37-7) be handled?

Waste containing 2-(4-Isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-3-quinolinecarboxylic acid (CAS: 81335-37-7) should be collected in appropriate containers, labeled with the chemical name and CAS number. It should then be disposed of through incineration or professional waste disposal services. Ensure compliance with local regulations and wear proper protective equipment to prevent environmental contamination and personal injury.