N-hydroxyquinoline-2-carboxamide , CAS No.37137-42-1

CAS: 37137-42-1 Cat. No.: N668080 Summenformel: C₁₀H₈N₂O₂ Molekulargewicht: 188.18 EG-Nummer: 867-893-4 PubChem CID: 148031

Synonyms

N-hydroxyquinoline-2-carboxamide|N-Hydroxy-2-quinolinecarboxamide|2-Quinolinecarboxamide, N-hydroxy-|2-Quinolinecarboxamide,N-hydroxy-|Quinoline-2-carbohydroxamic acid|VWG|quinolinecarbohydroxamic|quinolyl hydroximic acid|Quinoline-2-carboxylic acid hydroxyamide

Storage

Room temperature

Spezifikationen

Synonyme

N-hydroxyquinoline-2-carboxamide | N-Hydroxy-2-quinolinecarboxamide | 2-Quinolinecarboxamide, N-hydroxy- | 2-Quinolinecarboxamide,N-hydroxy- | Quinoline-2-carbohydroxamic acid | VWG | quinolinecarbohydroxamic | quinolyl hydroximic acid | Quinoline-2-carboxylic acid hydroxyamide

Storage

Room temperature

Produkteigenschaften

ALogP

0.9

Namen und Kennungen

Kanonisches Lächeln

C1=CC=C2C(=C1)C=CC(=N2)C(=O)NO

IUPAC Name

N-hydroxyquinoline-2-carboxamide

InChIKey

RLBGLCXAYWCPDM-UHFFFAOYSA-N

INCHI

1S/C10H8N2O2/c13-10(12-14)9-6-5-7-3-1-2-4-8(7)11-9/h1-6,14H,(H,12,13)

Isomere SMILES

C1=CC=C2C(=C1)C=CC(=N2)C(=O)NO

PubChem CID

148031

Molekulargewicht

188.18

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Quinolines and derivatives
      • Subclass Quinoline carboxamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Quinolines and derivatives
• Subclass: Quinoline carboxamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoline carboxamides
• Alternative Parents: Hydroxyquinolines Pyridinecarboxylic acids and derivatives Benzenoids Heteroaromatic compounds Hydroxamic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline-2-carboxamide - Hydroxyquinoline - Pyridine carboxylic acid or derivatives - Pyridine - Benzenoid - Heteroaromatic compound - Hydroxamic acid - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as quinoline carboxamides. These are quinolines in which the quinoline ring system is substituted by one or more carboxamide groups.
• 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.

DOI: 10.1186/s13321-016-0174-y

Zugehörige Ziele (menschlich)

HDAC8 Tclin Histone deacetylase 8 (1 Activities)

Discover Target: HDAC8

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HDAC8 Tclin Histone deacetylase 8 (4516 Activities)

Discover Target: HDAC8

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Zugehörige Ziele (nicht menschlich)

Hdac1 Histone deacetylase 1 (93 Activities)

Discover Target: Hdac1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Schistosoma mansoni (6170 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 188.180 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 188.059 Da
• Monoisotopic Mass: 188.059 Da
• Topological Polar Surface Area: 62.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 220.000
• 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