6-methoxyquinoline - ≥96% , CAS No.5263-87-6

CAS: 5263-87-6 Cat. No.: M105654 Molecular Weight: 159.18 Beilstein Registry Number: 115244 EC Number: 226-077-2

GRADE & PURITY ≥96%

Synonyms

FEMA NO. 4640 | EN300-23867 | Methyl 6-quinolyl ether | HY-W017232 | FT-0621202 | MFCD00006800 | SB67501 | AMY21891 | STR09836 | AC-18179 | InChI=1/C10H9NO/c1-12-9-4-5-10-8(7-9)3-2-6-11-10/h2-7H,1H | FS-3598 | H10211 | AI3-16316 | BBL027610 | Z166628264 |

Storage

Protected from light,Room temperature,Argon charged,Cool

Shipped In

Normal

Specifications

Synonyms

FEMA NO. 4640 | EN300-23867 | Methyl 6-quinolyl ether | HY-W017232 | FT-0621202 | MFCD00006800 | SB67501 | AMY21891 | STR09836 | AC-18179 | InChI=1/C10H9NO/c1-12-9-4-5-10-8(7-9)3-2-6-11-10/h2-7H, 1H | FS-3598 | H10211 | AI3-16316 | BBL027610 | Z166628264 |

Specifications & Purity

≥96%

Storage

Protected from light, Room temperature, Argon charged, Cool

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 488182037
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182037
• Canonical Smiles: COC1=CC2=C(C=C1)N=CC=C2
• IUPAC Name: 6-methoxyquinoline
• InChIKey: HFDLDPJYCIEXJP-UHFFFAOYSA-N
• INCHI: 1S/C10H9NO/c1-12-9-4-5-10-8(7-9)3-2-6-11-10/h2-7H,1H3
• Isomeric SMILES: COC1=CC2=C(C=C1)N=CC=C2
• WGK Germany: 3
• Molecular Weight: 159.18
• Beilstein: 115244
• Reaxy-Rn: 115244
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=115244&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinolines and derivatives
• Alternative Parents: Anisoles Alkyl aryl ethers Pyridines and derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline - Anisole - Alkyl aryl ether - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
• External Descriptors: aromatic ether - quinolines

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

Associated Targets(Human)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in Alcohol
• Sensitivity: air sensitive ；light sensitive
• Freezing Point(°C): 20 °C
• Refractive Index: 1.625
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 140-146 °C/15 mmHg
• Melt Point(°C): 18-20°C
• Molecular Weight: 159.180 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 159.068 Da
• Monoisotopic Mass: 159.068 Da
• Topological Polar Surface Area: 22.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 149.000
• 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

References

1. Qingqing Li, Zhiwei Sun, Yilin Wei, Zixu Ma, Liucheng Wang, Renfeng Nie.  (2024)  Acceptorless ambient-temperature dehydrogenation and reversible hydrogenation of N-heterocycles over single-atom Co-N-C catalysts.  APPLIED CATALYSIS B-ENVIRONMENTAL,      [PMID:] [10.1016/j.apcatb.2024.123959]

2. Xingyue Yang, Lei Wang, Shijie Zhou, Shilong Zhang, Yongfang Xu, Yujie Bian, Zhaowei Tian, Yusen Yang, Min Wei.  (2025)  Designing Cu0−Cu+ dual sites for reversible dehydrogenation and hydrogenation of N-heterocycles.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.166251]