4-chloro-6,7-dimethoxyquinazoline

• ChemBase ID: 66751
• Molecular Formular: C10H9ClN2O2
• Molecular Mass: 224.64366
• Monoisotopic Mass: 224.03525522
• SMILES: n1cnc(c2cc(c(cc12)OC)OC)Cl
• Canonical SMILES: COc1cc2c(Cl)ncnc2cc1OC
• InChI: InChI=1S/C10H9ClN2O2/c1-14-8-3-6-7(4-9(8)15-2)12-5-13-10(6)11/h3-5H,1-2H3
• InChIKey: LLLHRNQLGUOJHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-6,7-dimethoxyquinazoline
• IUPAC Traditional name: 4-chloro-6,7-dimethoxyquinazoline
• Synonyms: 6,7-Dimethoxy-4-chloroquinazoline; 4-Chloro-6,7-dimethoxyquinazoline; 4-Chloro-6,7-dimethoxyquinazoline; 4-Chloro-6,7-dimethoxyquinazoline; 4-氯-6,7-二甲氧基喹唑啉

Database IDs

• CAS Number: 13790-39-1
• MDL Number: MFCD01570172
• PubChem SID: 162032487
• PubChem CID: 2769364

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9338932
• LogD (pH = 7.4): 1.9339412
• Log P: 1.9339418
• Molar Refractivity: 57.593 cm^3
• Polarizability: 23.027414 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 182 - 184°C; 184-187°C; 284-287°C
• Hydrophobicity(logP): 2.214

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%; 95+%; 98%

DETAILS

Toronto Research Chemicals - C365350

A useful synthetic intermediate in the preparation of epidermal growth factors

REFERENCES

• Rocco, S.A., et al.: Synthesis, 3, 429 (2004)
• Lueth, A., et al.: Eur. J. Med. Chem., 43, 1478 (2004)