N-[(4-ethoxyphenyl)methyl]-2-(pyridin-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine

• ChemBase ID: 765957
• Molecular Formular: C22H24N4O
• Molecular Mass: 360.45216
• Monoisotopic Mass: 360.19501141
• SMILES: n1c(ncc2c1CCCC2NCc1ccc(cc1)OCC)c1cnccc1
• Canonical SMILES: CCOc1ccc(cc1)CNC1CCCc2c1cnc(n2)c1cccnc1
• InChI: InChI=1S/C22H24N4O/c1-2-27-18-10-8-16(9-11-18)13-24-20-6-3-7-21-19(20)15-25-22(26-21)17-5-4-12-23-14-17/h4-5,8-12,14-15,20,24H,2-3,6-7,13H2,1H3
• InChIKey: UGAARFNZOHYUFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-ethoxyphenyl)methyl]-2-(pyridin-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine
• IUPAC Traditional name: N-[(4-ethoxyphenyl)methyl]-2-(pyridin-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine
• Synonyms: N-(4-ethoxybenzyl)-2-(3-pyridinyl)-5,6,7,8-tetrahydro-5-quinazolinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.54165447
• LogD (pH = 7.4): 2.252933
• Log P: 3.430589
• Molar Refractivity: 116.8069 cm^3
• Polarizability: 41.82058 Å^3
• Polar Surface Area: 59.93 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.35
• LOG S: -4.19
• Polar Surface Area: 59.93 Å^2
• Rotatable Bonds: 4