Ethyl 4-chloro-6,8-dimethylquinoline-3-carboxylate - ≥97% , CAS No.31602-09-2

CAS: 31602-09-2 Cat. No.: E330585 Molecular Weight: 263.72 EC Number: 829-451-9

GRADE & PURITY ≥97%

Synonyms

ethyl 4-chloro-6,8-dimethylquinoline-3-carboxylate | 4-Chloro-6,8-dimethyl-quinoline-3-carboxylic acid ethyl ester | FT-0731183 | AKOS000201293 | ethyl 4-chloro-6,8-dimethyl quinoline-3-carboxylate | AC5875 | SCHEMBL11242678 | SB69952 | Z316900580 | BB 0

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

ethyl 4-chloro-6, 8-dimethylquinoline-3-carboxylate | 4-Chloro-6, 8-dimethyl-quinoline-3-carboxylic acid ethyl ester | FT-0731183 | AKOS000201293 | ethyl 4-chloro-6, 8-dimethyl quinoline-3-carboxylate | AC5875 | SCHEMBL11242678 | SB69952 | Z316900580 | BB 0

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504762542
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762542
• Canonical Smiles: CCOC(=O)C1=C(C2=CC(=CC(=C2N=C1)C)C)Cl
• IUPAC Name: ethyl 4-chloro-6,8-dimethylquinoline-3-carboxylate
• InChIKey: QOCJKSWVYYUBSD-UHFFFAOYSA-N
• INCHI: 1S/C14H14ClNO2/c1-4-18-14(17)11-7-16-13-9(3)5-8(2)6-10(13)12(11)15/h5-7H,4H2,1-3H3
• Isomeric SMILES: CCOC(=O)C1=C(C2=CC(=CC(=C2N=C1)C)C)Cl
• Molecular Weight: 263.72
• Reaxy-Rn: 406421
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=406421&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Haloquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Chloroquinolines
• Alternative Parents: Pyridinecarboxylic acids Benzenoids Aryl chlorides Vinylogous halides Heteroaromatic compounds Carboxylic acid esters Azacyclic 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 - Aryl chloride - Aryl halide - Benzenoid - Pyridine - Heteroaromatic compound - Vinylogous halide - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 263.720 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 263.071 Da
• Monoisotopic Mass: 263.071 Da
• Topological Polar Surface Area: 39.200 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 310.000
• 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