4-Quinolinecarboxylic acid - ≥98% , CAS No.486-74-8

CAS: 486-74-8 Cat. No.: Q123917 Molecular Weight: 173.17 Beilstein Registry Number: 5224 EC Number: 207-640-1 PubChem CID: 10243

GRADE & PURITY ≥98%

Synonyms

Q27102986 | AB01122702-03 | EINECS 207-640-1 | s6095 | 5-22-03-00204 (Beilstein Handbook Reference) | 4-Quinolinecarboxylic acid | A7349 | WLN: T66 BNJ EVQ | 4-quinoline carboxylic acid | AC-25671 | Quinoline-4-carboxylic acid | quinoline4-carboxylic acid

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

4-Quinolinecarboxylic acid was used in the coupling reaction with diamine linker. A 4-quinolinecarboxylic acid analogue, brequinar sodium was used to inhibit dihydroorotate dehydrogenase and the de novo biosynthesis of pyrimidine.

Specifications

Synonyms

Q27102986 | AB01122702-03 | EINECS 207-640-1 | s6095 | 5-22-03-00204 (Beilstein Handbook Reference) | 4-Quinolinecarboxylic acid | A7349 | WLN: T66 BNJ EVQ | 4-quinoline carboxylic acid | AC-25671 | Quinoline-4-carboxylic acid | quinoline4-carboxylic acid

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

4-Quinolinecarboxylic acid showed anti-tumor activity against L1210 leukemia and B16 melanoma.

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488181095
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181095
• Canonical Smiles: C1=CC=C2C(=C1)C(=CC=N2)C(=O)O
• IUPAC Name: quinoline-4-carboxylic acid
• InChIKey: VQMSRUREDGBWKT-UHFFFAOYSA-N
• INCHI: 1S/C10H7NO2/c12-10(13)8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,(H,12,13)
• Isomeric SMILES: C1=CC=C2C(=C1)C(=CC=N2)C(=O)O
• WGK Germany: 3
• RTECS: GD3850000
• PubChem CID: 10243
• Molecular Weight: 173.17
• Beilstein: 5224
• Reaxy-Rn: 5224

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Quinoline carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Quinoline carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoline carboxylic acids
• Alternative Parents: Pyridinecarboxylic acids Benzenoids Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline-4-carboxylic acid - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Benzenoid - Pyridine - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions.
• External Descriptors: quinolinemonocarboxylic acid

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 253-255°C
• Molecular Weight: 173.170 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 173.048 Da
• Monoisotopic Mass: 173.048 Da
• Topological Polar Surface Area: 50.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 205.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1