4-Hydroxy-8-methoxy-2-methylquinoline - ≥97% , CAS No.15644-89-0

CAS: 15644-89-0 Cat. No.: H167572 Summenformel: C₁₁H₁₁NO₂ Molekulargewicht: 189.21 EG-Nummer: 803-142-9

GRADE & PURITY ≥97%

Synonyms

2-Piperidinecarboxylic acid, 1-methyl-, (2S)- | FT-0618677 | Oprea1_263649 | EN300-36888 | NSC-208722 | Quinolin-4-ol, 8-methoxy-2-methyl- | 4-Hydroxy-8-methoxy-2-methylquinoline, AldrichCPR | AB05592 | SCHEMBL1564292 | SR-01000521875 | 8-methoxy-2-methyl

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

2-Piperidinecarboxylic acid, 1-methyl-, (2S)- | FT-0618677 | Oprea1_263649 | EN300-36888 | NSC-208722 | Quinolin-4-ol, 8-methoxy-2-methyl- | 4-Hydroxy-8-methoxy-2-methylquinoline, AldrichCPR | AB05592 | SCHEMBL1564292 | SR-01000521875 | 8-methoxy-2-methyl

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

504758420

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758420

Kanonisches Lächeln

CC1=CC(=O)C2=C(N1)C(=CC=C2)OC

IUPAC Name

8-methoxy-2-methyl-1H-quinolin-4-one

InChIKey

DJYYBMQABYVSBR-UHFFFAOYSA-N

INCHI

1S/C11H11NO2/c1-7-6-9(13)8-4-3-5-10(14-2)11(8)12-7/h3-6H,1-2H3,(H,12,13)

Isomere SMILES

CC1=CC(=O)C2=C(N1)C(=CC=C2)OC

WGK Deutschland

3

Molekulargewicht

189.21

Reaxy-Rn

1453730

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1453730&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Quinolines and derivatives
• Subclass: Quinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinolones
• Alternative Parents: Hydroquinolines Anisoles Methylpyridines Alkyl aryl ethers Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroquinolone - Dihydroquinoline - Anisole - Alkyl aryl ether - Methylpyridine - Pyridine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Azacycle - Ether - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 189.210 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 189.079 Da
• Monoisotopic Mass: 189.079 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 272.000
• 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