2-phenyl-N-(1-propylpiperidin-4-yl)-5,6,7,8-tetrahydroquinazolin-5-amine

• ChemBase ID: 749066
• Molecular Formular: C22H30N4
• Molecular Mass: 350.5004
• Monoisotopic Mass: 350.24704698
• SMILES: c12c(nc(nc2)c2ccccc2)CCCC1NC1CCN(CC1)CCC
• Canonical SMILES: CCCN1CCC(CC1)NC1CCCc2c1cnc(n2)c1ccccc1
• InChI: InChI=1S/C22H30N4/c1-2-13-26-14-11-18(12-15-26)24-20-9-6-10-21-19(20)16-23-22(25-21)17-7-4-3-5-8-17/h3-5,7-8,16,18,20,24H,2,6,9-15H2,1H3
• InChIKey: ZUCNBGXXGJSMES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenyl-N-(1-propylpiperidin-4-yl)-5,6,7,8-tetrahydroquinazolin-5-amine
• IUPAC Traditional name: 2-phenyl-N-(1-propylpiperidin-4-yl)-5,6,7,8-tetrahydroquinazolin-5-amine
• Synonyms: 2-phenyl-N-(1-propyl-4-piperidinyl)-5,6,7,8-tetrahydro-5-quinazolinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.599247
• LogD (pH = 7.4): 0.9546358
• Log P: 3.6619713
• Molar Refractivity: 117.8631 cm^3
• Polarizability: 42.48785 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.24
• LOG S: -3.45
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 3