(4e)-7-Chloro-4-(2-oxo-1-phenyl-3-pyrrolidinylidene)-1,2,3,4-tetrahydro-2-quinolinecarboxylic acid , Glutamate [NMDA] receptor antagonist, CAS No.10303232, Glutamate [NMDA] receptor antagonist

CAS: 10303232 Cat. No.: E671087 Molecular Weight: 368.8

Synonyms

(4e)-7-chloro-4-(2-oxo-1-phenyl-3-pyrrolidinylidene)-1,2,3,4-tetrahydro-2-quinolinecarboxylic acid | (4E)-7-chloro-4-(2-oxo-1-phenylpyrrolidin-3-ylidene)-2,3-dihydro-1H-quinoline-2-carboxylic acid | CHEMBL1207366 | SCHEMBL5750612

Storage

Room temperature

Specifications

Synonyms

(4e)-7-chloro-4-(2-oxo-1-phenyl-3-pyrrolidinylidene)-1, 2, 3, 4-tetrahydro-2-quinolinecarboxylic acid | (4E)-7-chloro-4-(2-oxo-1-phenylpyrrolidin-3-ylidene)-2, 3-dihydro-1H-quinoline-2-carboxylic acid | CHEMBL1207366 | SCHEMBL5750612

Storage

Room temperature

Action Type

ANTAGONIST

Mechanism of action

Glutamate [NMDA] receptor antagonist

Product Properties

• ALogP: 3.3

Names and Identifiers

• Canonical Smiles: C1CN(C(=O)C1=C2CC(NC3=C2C=CC(=C3)Cl)C(=O)O)C4=CC=CC=C4
• IUPAC Name: (4E)-7-chloro-4-(2-oxo-1-phenylpyrrolidin-3-ylidene)-2,3-dihydro-1H-quinoline-2-carboxylic acid
• InChIKey: XDKRVNKVAKCFGW-FOCLMDBBSA-N
• INCHI: 1S/C20H17ClN2O3/c21-12-6-7-14-16(11-18(20(25)26)22-17(14)10-12)15-8-9-23(19(15)24)13-4-2-1-3-5-13/h1-7,10,18,22H,8-9,11H2,(H,25,26)/b16-15+
• Isomeric SMILES: C\1CN(C(=O)/C1=C/2\CC(NC3=C2C=CC(=C3)Cl)C(=O)O)C4=CC=CC=C4
• Molecular Weight: 368.8
• Reaxy-Rn: 14019785
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14019785&ln=

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: Phenylpyrrolidines Alpha amino acids Hydroquinolines Secondary alkylarylamines Aryl chlorides Benzene and substituted derivatives Pyrrolidine-2-ones Tertiary carboxylic acid amides Pyrroles Lactams Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline-2-carboxylic acid - 1-phenylpyrrolidine - Alpha-amino acid - Alpha-amino acid or derivatives - Tetrahydroquinoline - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Aryl halide - Pyrrolidone - 2-pyrrolidone - Aryl chloride - Benzenoid - Pyrrolidine - Pyrrole - Tertiary carboxylic acid amide - Lactam - Amino acid - Amino acid or derivatives - Carboxamide group - Carboxylic acid - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Secondary amine - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - 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: Not available

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