4-hydroxy-6-{2'-hydroxy-[1,1'-biphenyl]-4-yl}-2-oxo-1,2-dihydroquinoline-3-carbonitrile , CAS No.1179347-23-9

CAS: 1179347-23-9 Cat. No.: H669765 Peso molecular: 354.4 PubChem CID: 54751098

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Propiedades del producto

• ALogP: 4.1

Nombres e identificadores

• Sonrisas canónicas: OC1=CC=CC=C1C1=CC=C(C=C1)C1=CC=C2NC(=O)C(C#N)=C(O)C2=C1
• IUPAC Name: 4-hydroxy-6-[4-(2-hydroxyphenyl)phenyl]-2-oxo-1H-quinoline-3-carbonitrile
• InChIKey: LXTNNPFHINYWLL-UHFFFAOYSA-N
• INCHI: 1S/C22H14N2O3/c23-12-18-21(26)17-11-15(9-10-19(17)24-22(18)27)13-5-7-14(8-6-13)16-3-1-2-4-20(16)25/h1-11,25H,(H2,24,26,27)
• Isómeros SMILES: C1=CC=C(C(=C1)C2=CC=C(C=C2)C3=CC4=C(C=C3)NC(=O)C(=C4O)C#N)O
• PubChem CID: 54751098
• Peso molecular: 354.4

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Phenylquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylquinolines
• Alternative Parents: Biphenyls and derivatives Quinolones and derivatives Hydroxyquinolines Hydroxypyridines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylquinoline - Dihydroxyquinoline - Biphenyl - Quinolone - 1-hydroxy-4-unsubstituted benzenoid - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Hydroxypyridine - Benzenoid - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl 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

Mecanismos de acción