6-Hydroxy-4-quinazolone - ≥97% , CAS No.16064-10-1

CAS: 16064-10-1 Cat. No.: H181852 Formula: C₈H₆N₂O₂ Peso molecolare: 162.1 Numero EC: 848-599-5

GRADE & PURITY ≥97%

Synonyms

6-hydroxyquinazolin-4-one | EN300-1231176 | NCGC00258205-01 | SCHEMBL642178 | 4(3H)-Quinazolinone, 6-hydroxy- | FT-0657147 | J-518788 | 6-hydroxy-3,4-dihydroquinazolone, AldrichCPR | 6-Hydroxy-4-quinazolone | A18263 | 6-Hydroxy-4(3H)-quinazolinone | 6-HYD

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

6-hydroxyquinazolin-4-one | EN300-1231176 | NCGC00258205-01 | SCHEMBL642178 | 4(3H)-Quinazolinone, 6-hydroxy- | FT-0657147 | J-518788 | 6-hydroxy-3,4-dihydroquinazolone, AldrichCPR | 6-Hydroxy-4-quinazolone | A18263 | 6-Hydroxy-4(3H)-quinazolinone | 6-HYD

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

488202948

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488202948

Sorrisi canonici

C1=CC2=C(C=C1O)C(=O)NC=N2

IUPAC Name

6-hydroxy-3H-quinazolin-4-one

InChIKey

QJRNXXLTDWMENM-UHFFFAOYSA-N

INCHI

1S/C8H6N2O2/c11-5-1-2-7-6(3-5)8(12)10-4-9-7/h1-4,11H,(H,9,10,12)

Isomeri SMILES

C1=CC2=C(C=C1O)C(=O)NC=N2

Peso molecolare

162.1

Reaxy-Rn

743465

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=743465&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinazolines
• Alternative Parents: Pyrimidones 1-hydroxy-2-unsubstituted benzenoids Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazoline - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Pyrimidone - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 162.150 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 162.043 Da
• Monoisotopic Mass: 162.043 Da
• Topological Polar Surface Area: 61.700 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 227.000
• 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