6-chloro-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinoline

• ChemBase ID: 649142
• Molecular Formular: C18H15ClN2
• Molecular Mass: 294.7781
• Monoisotopic Mass: 294.09237617
• SMILES: c1(c2c3c(CNCC3)ccc2)c2c(ncc1)ccc(c2)Cl
• Canonical SMILES: Clc1ccc2c(c1)c(ccn2)c1cccc2c1CCNC2
• InChI: InChI=1S/C18H15ClN2/c19-13-4-5-18-17(10-13)16(7-9-21-18)15-3-1-2-12-11-20-8-6-14(12)15/h1-5,7,9-10,20H,6,8,11H2
• InChIKey: UZRMVYXAEOFNCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinoline
• IUPAC Traditional name: 6-chloro-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinoline
• Synonyms: 6-chloro-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.81399995
• LogD (pH = 7.4): 1.9729218
• Log P: 3.980408
• Molar Refractivity: 86.4779 cm^3
• Polarizability: 36.11942 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.78
• LOG S: -3.57
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1