Ethyl 8-cyano-4-hydroxy-3-quinolinecarboxylate - ≥97% , CAS No.77156-79-7

CAS: 77156-79-7 Cat. No.: E358649 Peso molecular: 242.23

GRADE & PURITY ≥97%

Synonyms

ETHYL4-HYDROXY-8-CYANOQUINOLINE-3-CARBOXYLATE | ethyl 8-cyano-4-oxo-1H-quinoline-3-carboxylate | IOXBKBFKCYONPW-UHFFFAOYSA-N | SCHEMBL2963561 | AKOS030240848 | ethyl 8-cyano-4-hydroxyquinoline-3-carboxylate | SY312008 | AKOS005070739 | J-521234 | CDA15679

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

ETHYL4-HYDROXY-8-CYANOQUINOLINE-3-CARBOXYLATE | ethyl 8-cyano-4-oxo-1H-quinoline-3-carboxylate | IOXBKBFKCYONPW-UHFFFAOYSA-N | SCHEMBL2963561 | AKOS030240848 | ethyl 8-cyano-4-hydroxyquinoline-3-carboxylate | SY312008 | AKOS005070739 | J-521234 | CDA15679

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504762952
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762952
• Sonrisas canónicas: CCOC(=O)C1=CNC2=C(C=CC=C2C1=O)C#N
• IUPAC Name: ethyl 8-cyano-4-oxo-1H-quinoline-3-carboxylate
• InChIKey: IOXBKBFKCYONPW-UHFFFAOYSA-N
• INCHI: 1S/C13H10N2O3/c1-2-18-13(17)10-7-15-11-8(6-14)4-3-5-9(11)12(10)16/h3-5,7H,2H2,1H3,(H,15,16)
• Isómeros SMILES: CCOC(=O)C1=CNC2=C(C=CC=C2C1=O)C#N
• Peso molecular: 242.23
• Reaxy-Rn: 4320296
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4320296&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Quinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinolones
• Alternative Parents: Hydroquinolines Pyridinecarboxylic acids Benzenoids Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Nitriles Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroquinolone - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Nitrile - Carbonitrile - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Cyanide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone 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: 242.230 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 242.069 Da
• Monoisotopic Mass: 242.069 Da
• Topological Polar Surface Area: 79.200 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 446.000
• 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