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8-Ethyl-4-hydroxy-2-methylquinoline - Reagent Grade, high purity , CAS No.63136-23-2
Basic Description
Synonyms
8-ETHYL-2-METHYL-4(1H)-QUINOLINONE | VOOFHJQJGZCKJM-UHFFFAOYSA-N | 4-Quinolinol, 8-ethyl-2-methyl- | F3098-8788 | STK691818 | DTXSID401297202 | 8-ethyl-2-methyl-1H-quinolin-4-one | 8-Ethyl-2-methylquinolin-4(1H)-one | AKOS002247010 | Oprea1_150219 | FT-06
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
Quinolones and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Hydroquinolones
Alternative Parents
Hydroquinolines Methylpyridines Benzenoids Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dihydroquinolone - Dihydroquinoline - Methylpyridine - Pyridine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen 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.
Names and Identifiers
IUPAC Name
8-ethyl-2-methyl-1H-quinolin-4-one
INCHI
InChI=1S/C12H13NO/c1-3-9-5-4-6-10-11(14)7-8(2)13-12(9)10/h4-7H,3H2,1-2H3,(H,13,14)
InChIKey
VOOFHJQJGZCKJM-UHFFFAOYSA-N
Smiles
CCC1=C2C(=CC=C1)C(=O)C=C(N2)C
Isomeric SMILES
CCC1=C2C(=CC=C1)C(=O)C=C(N2)C
Molecular Weight
187.24
Reaxy-Rn
1452057
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1452057&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
187.240 g/mol
XLogP3
2.700
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
187.1 Da
Monoisotopic Mass
187.1 Da
Topological Polar Surface Area
29.100 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
269.000
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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