N-(furan-3-ylmethyl)-7-methoxy-N,4-dimethylquinazolin-2-amine

• ChemBase ID: 616296
• Molecular Formular: C16H17N3O2
• Molecular Mass: 283.32508
• Monoisotopic Mass: 283.1320768
• SMILES: c1(nc2c(c(n1)C)ccc(c2)OC)N(Cc1cocc1)C
• Canonical SMILES: COc1ccc2c(c1)nc(nc2C)N(Cc1cocc1)C
• InChI: InChI=1S/C16H17N3O2/c1-11-14-5-4-13(20-3)8-15(14)18-16(17-11)19(2)9-12-6-7-21-10-12/h4-8,10H,9H2,1-3H3
• InChIKey: IMYQPFABKKYULU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-3-ylmethyl)-7-methoxy-N,4-dimethylquinazolin-2-amine
• IUPAC Traditional name: N-(furan-3-ylmethyl)-7-methoxy-N,4-dimethylquinazolin-2-amine
• Synonyms: N-(3-furylmethyl)-7-methoxy-N,4-dimethylquinazolin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.8717594
• LogD (pH = 7.4): 3.047522
• Log P: 3.05031
• Molar Refractivity: 81.3558 cm^3
• Polarizability: 31.600468 Å^3
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.92
• LOG S: -3.76
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 4