(E)-3-(4-hidroxi-8-metoxi-2-metilquinolin-3-il)-N-(2-metoxifenil)but-2-enamida - ≥98% , CAS No.1072944-93-4

CAS: 1072944-93-4 Cat. No.: E179174 Peso molecular: 378.4 PubChem CID: 46739160

GRADE & PURITY ≥98%

Synonyms

AKOS015856123 | (E)-3-(4-HYDROXY-8-METHOXY-2-METHYLQUINOLIN-3-YL)-N-(2-METHOXYPHENYL)BUT-2-ENAMIDE | MFCD11504952 | (E)-3-(8-methoxy-2-methyl-4-oxo-1,4-dihydroquinolin-3-yl)-N-(2-methoxyphenyl)but-2-enamide | (E)-3-(8-methoxy-2-methyl-4-oxo-1H-quinolin-3-

Storage

Temperatura ambiente

Shipped In

Normal

Specifications

Sinónimos

AKOS015856123 | (E)-3-(4-HYDROXY-8-METHOXY-2-METHYLQUINOLIN-3-YL)-N-(2-METHOXYPHENYL)BUT-2-ENAMIDE | MFCD11504952 | (E)-3-(8-methoxy-2-methyl-4-oxo-1, 4-dihydroquinolin-3-yl)-N-(2-methoxyphenyl)but-2-enamide | (E)-3-(8-methoxy-2-methyl-4-oxo-1H-quinolin-3-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Temperatura ambiente

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1=C(C(=O)C2=C(N1)C(=CC=C2)OC)C(=CC(=O)NC3=CC=CC=C3OC)C
• IUPAC Name: (E)-3-(8-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)-N-(2-methoxyphenyl)but-2-enamide
• InChIKey: DRIRBMCODRUJKT-OUKQBFOZSA-N
• INCHI: 1S/C22H22N2O4/c1-13(12-19(25)24-16-9-5-6-10-17(16)27-3)20-14(2)23-21-15(22(20)26)8-7-11-18(21)28-4/h5-12H,1-4H3,(H,23,26)(H,24,25)/b13-12+
• Isómeros SMILES: CC1=C(C(=O)C2=C(N1)C(=CC=C2)OC)/C(=C/C(=O)NC3=CC=CC=C3OC)/C
• PubChem CID: 46739160
• Peso molecular: 378.4

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Quinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroquinolones
• Alternative Parents: Hydroquinolines Methoxyanilines Anilides Phenoxy compounds N-arylamides Methoxybenzenes Anisoles Alkyl aryl ethers Methylpyridines Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroquinolone - Dihydroquinoline - Anilide - Methoxyaniline - Phenol ether - N-arylamide - Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Methylpyridine - Pyridine - Benzenoid - Monocyclic benzene moiety - Vinylogous amide - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Ether - Azacycle - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 378.400 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 378.158 Da
• Monoisotopic Mass: 378.158 Da
• Topological Polar Surface Area: 76.700 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 669.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1