6,7-Dimethoxy-3H-quinazolin-4-one - ≥98% , CAS No.13794-72-4

CAS: 13794-72-4 Cat. No.: D124694 Peso molecular: 206.2 Beilstein Registry Number: 25(5)3,29 Número EC: 635-063-9

GRADE & PURITY ≥98%

Synonyms

FT-0636961 | MFCD01570147 | Oprea1_495367 | SCHEMBL8917 | FT-0670983 | 6,7-dimethoxy-3,4-dihydro-quinazolin-4-one | 6,7-dimethoxy-3,4-dihydroquinazolin-4one | 6,7-Dimethoxy-3,4-dihydroquinazolin-4-one | 6,7-dimethoxy-3,4-dihydroquinazolin4-one | 6,7-Dimet

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

FT-0636961 | MFCD01570147 | Oprea1_495367 | SCHEMBL8917 | FT-0670983 | 6, 7-dimethoxy-3, 4-dihydro-quinazolin-4-one | 6, 7-dimethoxy-3, 4-dihydroquinazolin-4one | 6, 7-Dimethoxy-3, 4-dihydroquinazolin-4-one | 6, 7-dimethoxy-3, 4-dihydroquinazolin4-one | 6, 7-Dimet

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488202953
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202953
• Sonrisas canónicas: COC1=C(C=C2C(=C1)C(=O)NC=N2)OC
• IUPAC Name: 6,7-dimethoxy-3H-quinazolin-4-one
• InChIKey: DMSRMHGCZUXCMJ-UHFFFAOYSA-N
• INCHI: 1S/C10H10N2O3/c1-14-8-3-6-7(4-9(8)15-2)11-5-12-10(6)13/h3-5H,1-2H3,(H,11,12,13)
• Isómeros SMILES: COC1=C(C=C2C(=C1)C(=O)NC=N2)OC
• Peso molecular: 206.2
• Beilstein: 25(5)3,29
• Reaxy-Rn: 882100
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=882100&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinazolines
• Alternative Parents: Anisoles Pyrimidones Alkyl aryl ethers Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazoline - Anisole - Alkyl aryl ether - Pyrimidone - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Ether - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive
• Punto de fusión (°C): 298°C
• Peso molecular: 206.200 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 206.069 Da
• Monoisotopic Mass: 206.069 Da
• Topological Polar Surface Area: 59.900 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 280.000
• 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