HHQ - ≥98%(HPLC) , CAS No.40522-46-1

CAS: 40522-46-1 Cat. No.: H170188 Formula: C₁₆H₂₁NO Peso molecolare: 243.34 Numero EC: 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

Panoramica

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

Specifications

Sinonimi

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

Specifiche e purezza

≥98%(HPLC)

Meccanismi biochimici e fisiologici

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

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

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Purezza

≥98%(HPLC)

Nomi e identificatori

• Pubchem Sid: 528756379
• Sorrisi canonici: 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)
• Isomeri SMILES: CCCCCCCC1=CC(=O)C2=CC=CC=C2N1
• WGK Germania: 3
• Peso molecolare: 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
    • Classe Quinolines and derivatives
      • Subclass Quinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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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Obiettivi associati (non umani)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 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

Riferimenti

1. Yankai Wang, Biao Hong, Baozang Yin, Yuan Li, Liuwei Huang, Shuang Tan, Tiancheng Gao, Manfred F. Maitz, Junsheng Zhang, Shunli Zheng, Can Huang, Hua Qiu, Jialong Chen, Xiangyang Li.  (2025)  Engineering Antibacterial, Biocompatible, Anti-Oxidant Titanium-Based Implants Using Polyphenols-Chlorhexidine Networks for Bone Regeneration.  Advanced Healthcare Materials,      [PMID:40270268] [10.1002/adhm.202404958]