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4-Methoxy-1-methylquinolin-2-one - ≥98%, high purity , CAS No.32262-18-3
Basic Description
Specifications & Purity
≥98%
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinolines and derivatives
Subclass
Quinolones and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Hydroquinolones
Alternative Parents
Hydroquinolines Pyridinones Alkyl aryl ethers Benzenoids Vinylogous esters Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dihydroquinolone - Dihydroquinoline - Alkyl aryl ether - Pyridinone - Benzenoid - Pyridine - Heteroaromatic compound - Vinylogous ester - Lactam - Azacycle - Ether - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone 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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
4-methoxy-1-methylquinolin-2-one
INCHI
InChI=1S/C11H11NO2/c1-12-9-6-4-3-5-8(9)10(14-2)7-11(12)13/h3-7H,1-2H3
InChIKey
SPBLFONLHXBBQE-UHFFFAOYSA-N
Smiles
CN1C2=CC=CC=C2C(=CC1=O)OC
Isomeric SMILES
CN1C2=CC=CC=C2C(=CC1=O)OC
Alternate CAS
32262-18-3
PubChem CID
182073
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
189.210 g/mol
XLogP3
1.200
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
189.079 Da
Monoisotopic Mass
189.079 Da
Topological Polar Surface Area
29.500 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
272.000
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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