2,4-diphenoxyquinazoline

• ChemBase ID: 110365
• Molecular Formular: C20H14N2O2
• Molecular Mass: 314.33736
• Monoisotopic Mass: 314.1055277
• SMILES: O(c1ccccc1)c1nc(Oc2ccccc2)c2ccccc2n1
• Canonical SMILES: c1ccc(cc1)Oc1nc(Oc2ccccc2)c2c(n1)cccc2
• InChI: InChI=1S/C20H14N2O2/c1-3-9-15(10-4-1)23-19-17-13-7-8-14-18(17)21-20(22-19)24-16-11-5-2-6-12-16/h1-14H
• InChIKey: SKBXSQLKWHPGJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-diphenoxyquinazoline
• IUPAC Traditional name: 2,4-diphenoxyquinazoline
• Synonyms: 2,4-DIPHENOXYQUINAZOLINE

Database IDs

• CAS Number: 6640-62-6
• PubChem SID: 162089330
• PubChem CID: 241521

CALCULATED PROPERTIES

• Molar Refractivity: 91.5416 cm^3
• Polarizability: 36.77378 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.6988773
• LogD (pH = 7.4): 5.69888
• Log P: 5.6988807

DETAILS

MP Biomedicals - 05214693

MP Biomedicals Rare Chemical collection