2-(2-Chloroquinazolin-4-yl)acetamide - ≥95% , CAS No.425638-74-0

CAS: 425638-74-0 Cat. No.: C193371 Formule: C₁₀H₈ClN₃O Poids moléculaire: 221.64

GRADE & PURITY ≥95%

Synonyms

HBENSHGDVIJNBK-UHFFFAOYSA-N | 2-(2-chloro-quinazolin-4-yl)-acetamide | 2-(2-Chloroquinazolin-4-yl)acetamide | 2-(2-CHLOROQUINAZOLINE-4-YL)-ACETAMIDE | 2-(2-chloroquinazolin-4-yl) acetamide | AC-30715 | DE-0070 | DTXSID30596143 | SCHEMBL1991028 | AMY10671

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

HBENSHGDVIJNBK-UHFFFAOYSA-N | 2-(2-chloro-quinazolin-4-yl)-acetamide | 2-(2-Chloroquinazolin-4-yl)acetamide | 2-(2-CHLOROQUINAZOLINE-4-YL)-ACETAMIDE | 2-(2-chloroquinazolin-4-yl) acetamide | AC-30715 | DE-0070 | DTXSID30596143 | SCHEMBL1991028 | AMY10671

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

• Sourires canoniques: C1=CC=C2C(=C1)C(=NC(=N2)Cl)CC(=O)N
• IUPAC Name: 2-(2-chloroquinazolin-4-yl)acetamide
• InChIKey: HBENSHGDVIJNBK-UHFFFAOYSA-N
• INCHI: 1S/C10H8ClN3O/c11-10-13-7-4-2-1-3-6(7)8(14-10)5-9(12)15/h1-4H,5H2,(H2,12,15)
• Isomères SMILES: C1=CC=C2C(=C1)C(=NC(=N2)Cl)CC(=O)N
• Poids moléculaire: 221.64
• Reaxy-Rn: 14087156
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14087156&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: 2-halopyrimidines Benzenoids Aryl chlorides Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazoline - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Pyrimidine - Benzenoid - Heteroaromatic compound - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 221.640 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 221.036 Da
• Monoisotopic Mass: 221.036 Da
• Topological Polar Surface Area: 68.900 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 249.000
• 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