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2-Amino-6,7-dimethoxyquinoline-3-carboxamide - ≥95%, high purity , CAS No.55149-43-4
Basic Description
Specifications & Purity
≥95%
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinolines and derivatives
Subclass
Quinoline carboxamides
Intermediate Tree Nodes
Not available
Direct Parent
Quinoline-3-carboxamides
Alternative Parents
Aminoquinolines and derivatives Pyridinecarboxylic acids and derivatives Anisoles Aminopyridines and derivatives Alkyl aryl ethers Imidolactams Vinylogous amides Heteroaromatic compounds Primary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinoline-3-carboxamide - Aminoquinoline - Pyridine carboxylic acid or derivatives - Anisole - Alkyl aryl ether - Aminopyridine - Imidolactam - Benzenoid - Pyridine - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Ether - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as quinoline-3-carboxamides. These are quinolines in which the quinoline ring system is substituted by one carboxamide group at the 3-position.
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
2-amino-6,7-dimethoxyquinoline-3-carboxamide
INCHI
InChI=1S/C12H13N3O3/c1-17-9-4-6-3-7(12(14)16)11(13)15-8(6)5-10(9)18-2/h3-5H,1-2H3,(H2,13,15)(H2,14,16)
InChIKey
AAZKQXRGMFBMCF-UHFFFAOYSA-N
Smiles
COC1=CC2=CC(=C(N=C2C=C1OC)N)C(=O)N
Isomeric SMILES
COC1=CC2=CC(=C(N=C2C=C1OC)N)C(=O)N
PubChem CID
781584
Molecular Weight
247.25
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
247.250 g/mol
XLogP3
1.200
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
3
Exact Mass
247.096 Da
Monoisotopic Mass
247.096 Da
Topological Polar Surface Area
100.000 Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
313.000
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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