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8-ETHYL-4-QUINOLINOL , CAS No.23096-83-5
Basic Description
Synonyms
8-ETHYLQUINOLIN-4-OL | 2345601-54-7 | AKOS002683289 | 8-Ethyl-4-hydroxyquinoline | AB03226 | 8-ethyl-1H-quinolin-4-one | AT25642 | FT-0721629 | SCHEMBL22492418 | 8-Ethyl-4-quinolinol | MFCD00087703 | DTXSID10391693 | 8-Ethylquinolin-4(1H)-one | SCHEMBL474
Storage Temp
Room temperature
Shipped In
Normal
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 Pyridines and derivatives Benzenoids Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dihydroquinolone - Dihydroquinoline - Benzenoid - Pyridine - Heteroaromatic compound - Vinylogous amide - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen 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-1H-quinolin-4-one
INCHI
InChI=1S/C11H11NO/c1-2-8-4-3-5-9-10(13)6-7-12-11(8)9/h3-7H,2H2,1H3,(H,12,13)
InChIKey
YBQQVKSIRLQGQW-UHFFFAOYSA-N
Smiles
CCC1=C2C(=CC=C1)C(=O)C=CN2
Isomeric SMILES
CCC1=C2C(=CC=C1)C(=O)C=CN2
Molecular Weight
173.216
Reaxy-Rn
34715760
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34715760&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
173.210 g/mol
XLogP3
2.400
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
173.084 Da
Monoisotopic Mass
173.084 Da
Topological Polar Surface Area
29.100 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
234.000
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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