7-Methoxyquinazoline , CAS No.10105-37-0

CAS: 10105-37-0 Cat. No.: M669175 Fórmula: C₉H₈N₂O Peso molecular: 160.17 Número EC: 874-822-0 PubChem CID: 12213273

Synonyms

7-methoxyquinazoline | 7-Methoxy-quinazoline | Quinazoline, 7-methoxy- | CHRMMMLUWHPZAH-UHFFFAOYSA-N | BDBM50049568 | MFCD18378811 | AKOS022189995 | AS-40488 | EN300-124642 | Z1255402381

Storage

Room temperature

Specifications

Sinónimos

7-methoxyquinazoline | 7-Methoxy-quinazoline | Quinazoline, 7-methoxy- | CHRMMMLUWHPZAH-UHFFFAOYSA-N | BDBM50049568 | MFCD18378811 | AKOS022189995 | AS-40488 | EN300-124642 | Z1255402381

Condiciones de almacenamiento de almacenamiento

Room temperature

Propiedades del producto

• ALogP: 1.1

Nombres e identificadores

• Sonrisas canónicas: COC1=CC2=NC=NC=C2C=C1
• IUPAC Name: 7-methoxyquinazoline
• InChIKey: CHRMMMLUWHPZAH-UHFFFAOYSA-N
• INCHI: 1S/C9H8N2O/c1-12-8-3-2-7-5-10-6-11-9(7)4-8/h2-6H,1H3
• Isómeros SMILES: COC1=CC2=NC=NC=C2C=C1
• PubChem CID: 12213273
• Peso molecular: 160.17

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 Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazoline - Phenol ether - Anisole - Alkyl aryl ether - Benzenoid - Pyrimidine - Heteroaromatic compound - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen 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

Objetivos asociados (humanos)

EGFR Tclin Epidermal growth factor receptor (1 Activities)

Discover Target: EGFR

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 160.170 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 160.064 Da
• Monoisotopic Mass: 160.064 Da
• Topological Polar Surface Area: 35.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 151.000
• 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

Preguntas frecuentes

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 10105-37-0, the molecular formula is C9H8N2O, and the molecular weight is 160.17 g/mol. InChIKey CHRMMMLUWHPZAH-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.