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6-Oxo-5，6-dihydro-[1，3]dioxolo[4，5-g]quinoline-7-carbaldehyde - ≥95%, high purity , CAS No.462068-15-1
Basic Description
Specifications & Purity
≥95%
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 Benzodioxoles Pyridine carboxaldehydes Pyridinones Aryl-aldehydes Benzenoids Vinylogous amides Heteroaromatic compounds Lactams Azacyclic compounds Oxacyclic compounds Acetals Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dihydroquinolone - Dihydroquinoline - Benzodioxole - 3-pyridine carboxaldehyde - Pyridinone - Aryl-aldehyde - Benzenoid - Pyridine - Vinylogous amide - Heteroaromatic compound - Lactam - Oxacycle - Azacycle - Acetal - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aldehyde - 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)
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
6-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carbaldehyde
INCHI
InChI=1S/C11H7NO4/c13-4-7-1-6-2-9-10(16-5-15-9)3-8(6)12-11(7)14/h1-4H,5H2,(H,12,14)
InChIKey
JHECNOLILDQPIP-UHFFFAOYSA-N
Smiles
C1OC2=C(O1)C=C3C(=C2)C=C(C(=O)N3)C=O
Isomeric SMILES
C1OC2=C(O1)C=C3C(=C2)C=C(C(=O)N3)C=O
PubChem CID
3145231
Molecular Weight
217.18
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
217.180 g/mol
XLogP3
0.800
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
217.038 Da
Monoisotopic Mass
217.038 Da
Topological Polar Surface Area
64.599 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
365.000
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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