2-(2-Methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride - ≥97% , CAS No.1160262-81-6

CAS: 1160262-81-6 Cat. No.: M967145 PubChem CID: 46779375

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=CC=C3OC)C(=O)Cl)C
• IUPAC Name: 2-(2-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl chloride
• InChIKey: AWQZXFYNHCSZJK-UHFFFAOYSA-N
• INCHI: 1S/C19H16ClNO2/c1-11-8-12(2)18-14(9-11)15(19(20)22)10-16(21-18)13-6-4-5-7-17(13)23-3/h4-10H,1-3H3
• Isómeros SMILES: CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=CC=C3OC)C(=O)Cl)C
• CAS alternativo: 1160262-81-6
• PubChem CID: 46779375

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: Phenylpyridines Pyridinecarboxylic acids and derivatives Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Heteroaromatic compounds Azacyclic compounds Acyl chlorides Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylquinoline - 2-phenylpyridine - Pyridine carboxylic acid or derivatives - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Acyl chloride - Acyl halide - Ether - Azacycle - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen 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

Propiedades químicas y físicas

• Peso molecular: 325.800 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 325.087 Da
• Monoisotopic Mass: 325.087 Da
• Topological Polar Surface Area: 39.200 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 430.000
• 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