2-(2-aminoethyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)quinazolin-4-amine

• ChemBase ID: 524599
• Molecular Formular: C20H24N4OS
• Molecular Mass: 368.49576
• Monoisotopic Mass: 368.16708241
• SMILES: c1(nc(nc2c1cccc2)CCN)N(Cc1cscc1)CC1OCCC1
• Canonical SMILES: NCCc1nc(N(Cc2cscc2)CC2CCCO2)c2c(n1)cccc2
• InChI: InChI=1S/C20H24N4OS/c21-9-7-19-22-18-6-2-1-5-17(18)20(23-19)24(12-15-8-11-26-14-15)13-16-4-3-10-25-16/h1-2,5-6,8,11,14,16H,3-4,7,9-10,12-13,21H2
• InChIKey: QEIUOCXFQLOLKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminoethyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)quinazolin-4-amine
• IUPAC Traditional name: 2-(2-aminoethyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)quinazolin-4-amine
• Synonyms: 2-(2-aminoethyl)-N-(tetrahydrofuran-2-ylmethyl)-N-(3-thienylmethyl)quinazolin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.6875771
• LogD (pH = 7.4): 1.8339158
• Log P: 3.832832
• Molar Refractivity: 106.1992 cm^3
• Polarizability: 41.57251 Å^3
• Polar Surface Area: 64.27 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.12
• LOG S: -3.54
• Polar Surface Area: 64.27 Å^2
• Rotatable Bonds: 7