2-(2-aminoethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine

• ChemBase ID: 579191
• Molecular Formular: C21H24N4O
• Molecular Mass: 348.44146
• Monoisotopic Mass: 348.19501141
• SMILES: c1(N(Cc2c(OC)cccc2)C2CC2)nc(nc2c1cccc2)CCN
• Canonical SMILES: NCCc1nc(N(C2CC2)Cc2ccccc2OC)c2c(n1)cccc2
• InChI: InChI=1S/C21H24N4O/c1-26-19-9-5-2-6-15(19)14-25(16-10-11-16)21-17-7-3-4-8-18(17)23-20(24-21)12-13-22/h2-9,16H,10-14,22H2,1H3
• InChIKey: PECQACDGCUMTGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminoethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
• IUPAC Traditional name: 2-(2-aminoethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
• Synonyms: 2-(2-aminoethyl)-N-cyclopropyl-N-(2-methoxybenzyl)quinazolin-4-amine

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 64.27 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.8731558
• LogD (pH = 7.4): 2.0194385
• Log P: 4.018313
• Molar Refractivity: 104.5131 cm^3
• Polarizability: 41.103233 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 64.27 Å^2
• Rotatable Bonds: 7
• H Acceptors: 4
• H Donor: 1
• Log P: 3.31
• LOG S: -3.56