8-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinolin-4-amine

• ChemBase ID: 432143
• Molecular Formular: C18H17N3
• Molecular Mass: 275.34768
• Monoisotopic Mass: 275.14224756
• SMILES: c12c(c3c4c(CNCC4)ccc3)cccc1c(N)ccn2
• Canonical SMILES: Nc1ccnc2c1cccc2c1cccc2c1CCNC2
• InChI: InChI=1S/C18H17N3/c19-17-8-10-21-18-15(5-2-6-16(17)18)14-4-1-3-12-11-20-9-7-13(12)14/h1-6,8,10,20H,7,9,11H2,(H2,19,21)
• InChIKey: AIIRSYDQZPDCGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinolin-4-amine
• IUPAC Traditional name: 8-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinolin-4-amine
• Synonyms: 8-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinolin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.8901902
• LogD (pH = 7.4): 0.1347001
• Log P: 2.5474372
• Molar Refractivity: 86.3735 cm^3
• Polarizability: 35.471416 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 1.81
• LOG S: -1.75
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1