4-chloro-6,8-dimethoxyquinazoline

• ChemBase ID: 248375
• Molecular Formular: C10H9ClN2O2
• Molecular Mass: 224.64366
• Monoisotopic Mass: 224.03525522
• SMILES: c12c(c(cc(c2)OC)OC)ncnc1Cl
• Canonical SMILES: COc1cc(OC)cc2c1ncnc2Cl
• InChI: InChI=1S/C10H9ClN2O2/c1-14-6-3-7-9(8(4-6)15-2)12-5-13-10(7)11/h3-5H,1-2H3
• InChIKey: YLNXMRGXLHLQNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-6,8-dimethoxyquinazoline
• IUPAC Traditional name: 4-chloro-6,8-dimethoxyquinazoline
• Synonyms: 4-chloro-6,8-dimethoxyquinazoline

Database IDs

• PubChem SID: 164304285
• PubChem CID: 9991226

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9339415
• LogD (pH = 7.4): 1.9339418
• Log P: 1.9339418
• Molar Refractivity: 57.593 cm^3
• Polarizability: 23.032074 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.564

Product Information

• Purity: null%