3-(furan-2-ylmethyl)-6,7-dimethoxy-3,4-dihydroquinazolin-4-one

• ChemBase ID: 711685
• Molecular Formular: C15H14N2O4
• Molecular Mass: 286.28266
• Monoisotopic Mass: 286.09535694
• SMILES: n1(c(=O)c2c(nc1)cc(c(c2)OC)OC)Cc1occc1
• Canonical SMILES: COc1cc2c(cc1OC)ncn(c2=O)Cc1ccco1
• InChI: InChI=1S/C15H14N2O4/c1-19-13-6-11-12(7-14(13)20-2)16-9-17(15(11)18)8-10-4-3-5-21-10/h3-7,9H,8H2,1-2H3
• InChIKey: DZWYNIKKWJYYBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(furan-2-ylmethyl)-6,7-dimethoxy-3,4-dihydroquinazolin-4-one
• IUPAC Traditional name: 3-(furan-2-ylmethyl)-6,7-dimethoxyquinazolin-4-one
• Synonyms: 3-(2-furylmethyl)-6,7-dimethoxyquinazolin-4(3H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4175553
• LogD (pH = 7.4): 1.4177921
• Log P: 1.4177951
• Molar Refractivity: 77.726 cm^3
• Polarizability: 28.368858 Å^3
• Polar Surface Area: 64.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.61
• LOG S: -2.66
• Polar Surface Area: 66.49 Å^2
• Rotatable Bonds: 4