N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-8-methoxyquinolin-2-amine

• ChemBase ID: 552150
• Molecular Formular: C24H27N3O
• Molecular Mass: 373.49068
• Monoisotopic Mass: 373.2154125
• SMILES: N1(C2Cc3c(C2)cccc3)CC(Nc2nc3c(OC)cccc3cc2)CCC1
• Canonical SMILES: COc1cccc2c1nc(cc2)NC1CCCN(C1)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C24H27N3O/c1-28-22-10-4-8-17-11-12-23(26-24(17)22)25-20-9-5-13-27(16-20)21-14-18-6-2-3-7-19(18)15-21/h2-4,6-8,10-12,20-21H,5,9,13-16H2,1H3,(H,25,26)
• InChIKey: PYVQHZUTEXVRJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-8-methoxyquinolin-2-amine
• IUPAC Traditional name: N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-8-methoxyquinolin-2-amine
• Synonyms: N-[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]-8-methoxy-2-quinolinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.264495
• LogD (pH = 7.4): 2.590816
• Log P: 4.637464
• Molar Refractivity: 114.5275 cm^3
• Polarizability: 44.9098 Å^3
• Polar Surface Area: 37.39 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.04
• LOG S: -4.37
• Polar Surface Area: 37.39 Å^2
• Rotatable Bonds: 4