2-(2-Isopropoxyphenyl)quinoline-4-carbohydrazide - ≥97% , CAS No.956576-43-5

CAS: 956576-43-5 Cat. No.: I1010420 PubChem CID: 25218961

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: CC(C)OC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NN
• IUPAC Name: 2-(2-propan-2-yloxyphenyl)quinoline-4-carbohydrazide
• InChIKey: JVMHEDDVVCZSAS-UHFFFAOYSA-N
• INCHI: 1S/C19H19N3O2/c1-12(2)24-18-10-6-4-8-14(18)17-11-15(19(23)22-20)13-7-3-5-9-16(13)21-17/h3-12H,20H2,1-2H3,(H,22,23)
• Isómeros SMILES: CC(C)OC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NN
• CAS alternativo: 956576-43-5
• PubChem CID: 25218961

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: Quinoline carboxamides Phenylpyridines Pyridinecarboxylic acids and derivatives Phenoxy compounds Phenol ethers Alkyl aryl ethers Heteroaromatic compounds Carboxylic acid hydrazides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylquinoline - Quinoline-4-carboxamide - 2-phenylpyridine - Pyridine carboxylic acid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Carboxylic acid hydrazide - Ether - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - 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: 321.400 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 321.148 Da
• Monoisotopic Mass: 321.148 Da
• Topological Polar Surface Area: 77.200 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 429.000
• 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