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2-Chloro-6-methoxy-3-phenylquinoline - Reagent Grade, high purity , CAS No.85274-57-3
Basic Description
Synonyms
Quinoline-Containing Inhibitor 13 | MFCD09998016 | DTXSID10416178 | 2-chloro-6-methoxy-3-phenylquinoline | BDBM5179 | 2-Chloro-6-methoxy-3-phenylquinoline, AldrichCPR
Specifications & Purity
Reagent grade
Legal Information
Product of BioBlocks
Grade
Reagent Grade
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinolines and derivatives
Subclass
Phenylquinolines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylquinolines
Alternative Parents
Phenylpyridines Chloroquinolines Anisoles Alkyl aryl ethers 2-halopyridines Benzene and substituted derivatives Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylquinoline - 3-phenylpyridine - Haloquinoline - Chloroquinoline - Anisole - Phenol ether - Alkyl aryl ether - 2-halopyridine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Ether - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
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.
Names and Identifiers
IUPAC Name
2-chloro-6-methoxy-3-phenylquinoline
INCHI
InChI=1S/C16H12ClNO/c1-19-13-7-8-15-12(9-13)10-14(16(17)18-15)11-5-3-2-4-6-11/h2-10H,1H3
InChIKey
GGBHOBDCDNXFFD-UHFFFAOYSA-N
Smiles
COC1=CC2=CC(=C(N=C2C=C1)Cl)C3=CC=CC=C3
Isomeric SMILES
COC1=CC2=CC(=C(N=C2C=C1)Cl)C3=CC=CC=C3
WGK Germany
3
Molecular Weight
269.73
Reaxy-Rn
5948274
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5948274&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
269.720 g/mol
XLogP3
4.700
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
269.061 Da
Monoisotopic Mass
269.061 Da
Topological Polar Surface Area
22.100 Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
292.000
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
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