Atanine - ≥98% , CAS No.7282-19-1

CAS: 7282-19-1 Cat. No.: A961576 PubChem CID: 10014667

グレード＆純度 ≥98%

Storage

Room temperature

仕様

仕様と純度

≥98%

保管条件

Room temperature

アクションタイプ

INHIBITOR

純度

≥98%

名前と識別子

カノニカル・スマイル

CC(=CCC1=C(C2=CC=CC=C2NC1=O)OC)C

IUPAC Name

4-methoxy-3-(3-methylbut-2-enyl)-1H-quinolin-2-one

InChIKey

SPIWINZXMDJUPE-UHFFFAOYSA-N

INCHI

1S/C15H17NO2/c1-10(2)8-9-12-14(18-3)11-6-4-5-7-13(11)16-15(12)17/h4-8H,9H2,1-3H3,(H,16,17)

異性体SMILES

CC(=CCC1=C(C2=CC=CC=C2NC1=O)OC)C

PubChem CID

10014667

MeSH用語

3-dimethylallyl-4-methoxy-2-quinolone;atanine

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Quinolines and derivatives
      • Subclass Quinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Quinolines and derivatives
• Subclass: Quinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinolones
• Alternative Parents: Hydroquinolines Pyridinones Alkyl aryl ethers Benzenoids Vinylogous esters Heteroaromatic compounds Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroquinolone - Dihydroquinoline - Alkyl aryl ether - Pyridinone - Benzenoid - Pyridine - Heteroaromatic compound - Vinylogous ester - Lactam - Azacycle - Ether - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• 説明: 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.

DOI: 10.1186/s13321-016-0174-y

化学的性質と物理的性質

• 分子量: 243.300 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 243.126 Da
• Monoisotopic Mass: 243.126 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 391.000
• 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