2-(2-aminoethyl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine

• ChemBase ID: 335704
• Molecular Formular: C24H25N5
• Molecular Mass: 383.4888
• Monoisotopic Mass: 383.21099583
• SMILES: c1(nc(nc2c1cccc2)CCN)N(Cc1cnccc1)CCc1ccccc1
• Canonical SMILES: NCCc1nc2ccccc2c(n1)N(Cc1cccnc1)CCc1ccccc1
• InChI: InChI=1S/C24H25N5/c25-14-12-23-27-22-11-5-4-10-21(22)24(28-23)29(18-20-9-6-15-26-17-20)16-13-19-7-2-1-3-8-19/h1-11,15,17H,12-14,16,18,25H2
• InChIKey: SSPUOLJFGDLTFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminoethyl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine
• IUPAC Traditional name: 2-(2-aminoethyl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine
• Synonyms: 2-(2-aminoethyl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.3263487
• LogD (pH = 7.4): 2.5449421
• Log P: 4.5449867
• Molar Refractivity: 118.0494 cm^3
• Polarizability: 46.136658 Å^3
• Polar Surface Area: 67.93 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.64
• LOG S: -2.79
• Polar Surface Area: 67.93 Å^2
• Rotatable Bonds: 8