HHQ - ≥98%(HPLC) , CAS No.40522-46-1

CAS: 40522-46-1 Cat. No.: H170188 分子式: C₁₆H₂₁NO 分子量: 243.34 EC番号: 895-787-8

GRADE & PURITY ≥98%(HPLC)

Synonyms

2-heptylquinolin-4(1H)-one|40522-46-1|2-heptyl-4-quinolone|2503-80-2|2-heptyl-1H-quinolin-4-one|2-heptyl-4(1H)-quinolone|2-Heptyl-4-hydroxyquinoline|2-heptylquinolin-4-ol|TCMDC-132026|MY-12-62c|HHQ|MY 12-62c|4-hydroxy-2-heptylquinoline|CHEBI:62219|2-hepty

Storage

Store at 2-8°C

Shipped In

Wet ice

概要

HHQ belongs to 2-alkyl-4-quinolone compounds, which are lipophilic and are slightly soluble in water.

Specifications

同義語

2-heptylquinolin-4(1H)-one | 40522-46-1 | 2-heptyl-4-quinolone | 2503-80-2 | 2-heptyl-1H-quinolin-4-one | 2-heptyl-4(1H)-quinolone | 2-Heptyl-4-hydroxyquinoline | 2-heptylquinolin-4-ol | TCMDC-132026 | MY-12-62c | HHQ | MY 12-62c | 4-hydroxy-2-heptylquinoline | CHEBI:62219 | 2-hepty

仕様と純度

≥98%(HPLC)

生化学的・生理学的メカニズム

HHQ or 2-Heptyl-4-quinolone is a modulator of swarm motility. HHQ can be converted to PQS (Pseudomonas quinolone signal) by the PqsH protein. HHQ stimulates vesicle formation but not as much as PQS

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%(HPLC)

名前と識別子

パブケム・シド

528756379

カノニカル・スマイル

CCCCCCCC1=CC(=O)C2=CC=CC=C2N1

IUPAC Name

2-heptyl-1H-quinolin-4-one

InChIKey

UYRHHBXYXSYGHA-UHFFFAOYSA-N

INCHI

1S/C16H21NO/c1-2-3-4-5-6-9-13-12-16(18)14-10-7-8-11-15(14)17-13/h7-8,10-12H,2-6,9H2,1H3,(H,17,18)

異性体SMILES

CCCCCCCC1=CC(=O)C2=CC=CC=C2N1

WGKドイツ

3

分子量

243.34

Reaxy-Rn

1529939

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1529939&ln=

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 Pyridines and derivatives Benzenoids Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroquinolone - Dihydroquinoline - Benzenoid - Pyridine - Heteroaromatic compound - Vinylogous amide - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - 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: a tautomer

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

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作用メカニズム

化学的性質と物理的性質

• 分子量: 243.340 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 243.162 Da
• Monoisotopic Mass: 243.162 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 308.000
• 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