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3,4-Dihydro-2(1H)-quinolinone - 97.5%, high purity , CAS No.553-03-7
Basic Description
Synonyms
2-Oxo-1,3,4-tetrahydroquinoline | 2(1H)-Quinolinone, 3,4-dihydro- | STR08974 | 3,4-Dihydro-2(1H)quinolinone | 3,4-Dihydro-2(1H)-quinolinone | 1,2,3,4-TETRAHYDRO-2(1H)-QUINOLINONE | 3,4-Dihydrocarbostyril | Hydrocarbostyril | HMS1729B08 | Carbostyril, 3,4-
Specifications & Purity
≥97.5%
Storage Temp
Protected from light
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 Benzenoids Secondary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Tetrahydroquinolone - Tetrahydroquinoline - Benzenoid - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Carbonyl group - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen 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
Pubchem Sid
488183638
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488183638
IUPAC Name
3,4-dihydro-1H-quinolin-2-one
INCHI
InChI=1S/C9H9NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-4H,5-6H2,(H,10,11)
InChIKey
TZOYXRMEFDYWDQ-UHFFFAOYSA-N
Smiles
C1CC(=O)NC2=CC=CC=C21
Isomeric SMILES
C1CC(=O)NC2=CC=CC=C21
Molecular Weight
147.18
Reaxy-Rn
125260
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=125260&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Light sensitive
Molecular Weight
147.170 g/mol
XLogP3
1.100
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
0
Exact Mass
147.068 Da
Monoisotopic Mass
147.068 Da
Topological Polar Surface Area
29.100 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
167.000
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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