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2-Aminoquinoline-3-carboxamide - ≥97%, high purity , CAS No.31407-28-0
Basic Description
Specifications & Purity
≥97%
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 Aminopyridines and derivatives Imidolactams Benzenoids Vinylogous amides Heteroaromatic compounds Primary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinoline-3-carboxamide - Aminoquinoline - Pyridine carboxylic acid or derivatives - Aminopyridine - Pyridine - Benzenoid - Imidolactam - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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)
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-aminoquinoline-3-carboxamide
INCHI
InChI=1S/C10H9N3O/c11-9-7(10(12)14)5-6-3-1-2-4-8(6)13-9/h1-5H,(H2,11,13)(H2,12,14)
InChIKey
GXZOXGRLLFZVGF-UHFFFAOYSA-N
Smiles
C1=CC=C2C(=C1)C=C(C(=N2)N)C(=O)N
Isomeric SMILES
C1=CC=C2C(=C1)C=C(C(=N2)N)C(=O)N
PubChem CID
5200228
Molecular Weight
187.2
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
187.200 g/mol
XLogP3
1.300
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
187.075 Da
Monoisotopic Mass
187.075 Da
Topological Polar Surface Area
82.000 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
231.000
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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