7-Chloro-2-methyl-quinoline-3-carboxylic acid ethyl ester - ≥98% , CAS No.733719-74-9

CAS: 733719-74-9 Cat. No.: C336350 Peso molecular: 249.69 Número EC: 804-000-9

GRADE & PURITY ≥98%

Synonyms

Ethyl 7-chloro-2-methylquinoline-3-carboxylate | SCHEMBL1285015 | AB22511 | FT-0706875 | 7-Chloro-2-methyl-quinoline-3-carboxylic acid ethyl ester, AldrichCPR | IQMPORCGKAHSDX-UHFFFAOYSA-N | DTXSID20588855 | 7-Chloro-2-methyl-quinoline-3-carboxylic acid e

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Ethyl 7-chloro-2-methylquinoline-3-carboxylate | SCHEMBL1285015 | AB22511 | FT-0706875 | 7-Chloro-2-methyl-quinoline-3-carboxylic acid ethyl ester, AldrichCPR | IQMPORCGKAHSDX-UHFFFAOYSA-N | DTXSID20588855 | 7-Chloro-2-methyl-quinoline-3-carboxylic acid e

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCOC(=O)C1=C(N=C2C=C(C=CC2=C1)Cl)C
• IUPAC Name: ethyl 7-chloro-2-methylquinoline-3-carboxylate
• InChIKey: IQMPORCGKAHSDX-UHFFFAOYSA-N
• INCHI: 1S/C13H12ClNO2/c1-3-17-13(16)11-6-9-4-5-10(14)7-12(9)15-8(11)2/h4-7H,3H2,1-2H3
• Isómeros SMILES: CCOC(=O)C1=C(N=C2C=C(C=CC2=C1)Cl)C
• WGK Alemania: 3
• Peso molecular: 249.69
• Reaxy-Rn: 22375848
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22375848&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Haloquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Chloroquinolines
• Alternative Parents: Pyridinecarboxylic acids Methylpyridines Benzenoids Aryl chlorides Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chloroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Methylpyridine - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as chloroquinolines. These are compounds containing a quinoline moiety, which carries one or more chlorine atoms.
• 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

• Punto de fusión (°C): 56-57℃
• Peso molecular: 249.690 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 249.056 Da
• Monoisotopic Mass: 249.056 Da
• Topological Polar Surface Area: 39.200 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 285.000
• 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