N-cyclopentyl-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-amine

• ChemBase ID: 713283
• Molecular Formular: C19H23N3
• Molecular Mass: 293.40602
• Monoisotopic Mass: 293.18919775
• SMILES: c12c(nc(nc2)c2ccccc2)CCCC1NC1CCCC1
• Canonical SMILES: C1CCC(C1)NC1CCCc2c1cnc(n2)c1ccccc1
• InChI: InChI=1S/C19H23N3/c1-2-7-14(8-3-1)19-20-13-16-17(11-6-12-18(16)22-19)21-15-9-4-5-10-15/h1-3,7-8,13,15,17,21H,4-6,9-12H2
• InChIKey: UCQKGDZBHHZQQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-amine
• IUPAC Traditional name: N-cyclopentyl-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-amine
• Synonyms: N-cyclopentyl-2-phenyl-5,6,7,8-tetrahydro-5-quinazolinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.77689695
• LogD (pH = 7.4): 1.9480281
• Log P: 4.0610776
• Molar Refractivity: 99.5526 cm^3
• Polarizability: 35.42884 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.6
• LOG S: -4.0
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 3