N-(2-carbamoylphenyl)-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide , CAS No.54676442

CAS: 54676442 Cat. No.: N943415 Peso molecular: 323.300

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C2C(=C1)C(=C(C(=O)N2)C(=O)NC3=CC=CC=C3C(=O)N)O
• IUPAC Name: N-(2-carbamoylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
• InChIKey: CSNVHINRSBGWKF-UHFFFAOYSA-N
• INCHI: 1S/C17H13N3O4/c18-15(22)10-6-2-4-8-12(10)20-17(24)13-14(21)9-5-1-3-7-11(9)19-16(13)23/h1-8H,(H2,18,22)(H,20,24)(H2,19,21,23)
• Peso molecular: 323.300

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives
      • Subclass Hydroxyquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Hydroxyquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxyquinolines
• Alternative Parents: Quinolones and derivatives Hydroxypyridines Benzene and substituted derivatives Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Carboximidic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroxyquinoline - Quinolone - Hydroxypyridine - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidic acid - Carboximidic acid derivative - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as hydroxyquinolines. These are compounds containing a quinoline moiety bearing a hydroxyl group.
• 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

Propiedades químicas y físicas

• Peso molecular: 323.300 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 323.091 Da
• Monoisotopic Mass: 323.091 Da
• Topological Polar Surface Area: 122.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 586.000
• 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