2-Chloro-7-methoxy-3-methylquinoline - ≥97% , CAS No.132118-45-7

CAS: 132118-45-7 Cat. No.: C166956 Molecular Weight: 207.66 EC Number: 802-740-7

GRADE & PURITY ≥97%

Synonyms

SCHEMBL6033527 | AKOS002676315 | KVBVZTHTUJBHOF-UHFFFAOYSA-N | DTXSID50576149 | Quinoline, 2-chloro-7-methoxy-3-methyl- | 2-Chloro-7-methoxy-3-methylquinoline, AldrichCPR | AB51977 | 2-Chloro-7-methoxy-3-methylquinoline | MFCD09787682 | EN300-7436787 | FT

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

SCHEMBL6033527 | AKOS002676315 | KVBVZTHTUJBHOF-UHFFFAOYSA-N | DTXSID50576149 | Quinoline, 2-chloro-7-methoxy-3-methyl- | 2-Chloro-7-methoxy-3-methylquinoline, AldrichCPR | AB51977 | 2-Chloro-7-methoxy-3-methylquinoline | MFCD09787682 | EN300-7436787 | FT

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488198942
• Canonical Smiles: CC1=CC2=C(C=C(C=C2)OC)N=C1Cl
• IUPAC Name: 2-chloro-7-methoxy-3-methylquinoline
• InChIKey: KVBVZTHTUJBHOF-UHFFFAOYSA-N
• INCHI: 1S/C11H10ClNO/c1-7-5-8-3-4-9(14-2)6-10(8)13-11(7)12/h3-6H,1-2H3
• Isomeric SMILES: CC1=CC2=C(C=C(C=C2)OC)N=C1Cl
• Molecular Weight: 207.66
• Reaxy-Rn: 6919723
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6919723&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: Anisoles Methylpyridines Alkyl aryl ethers 2-halopyridines Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chloroquinoline - Anisole - Phenol ether - Alkyl aryl ether - 2-halopyridine - Methylpyridine - Aryl chloride - Aryl halide - Benzenoid - Pyridine - Heteroaromatic compound - Ether - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen 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: 207.650 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 207.045 Da
• Monoisotopic Mass: 207.045 Da
• Topological Polar Surface Area: 22.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 200.000
• 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