6-(4-chlorophenoxy)quinolin-5-amine

• ChemBase ID: 245118
• Molecular Formular: C15H11ClN2O
• Molecular Mass: 270.71364
• Monoisotopic Mass: 270.05599066
• SMILES: c1(c2c(nccc2)ccc1Oc1ccc(Cl)cc1)N
• Canonical SMILES: Clc1ccc(cc1)Oc1ccc2c(c1N)cccn2
• InChI: InChI=1S/C15H11ClN2O/c16-10-3-5-11(6-4-10)19-14-8-7-13-12(15(14)17)2-1-9-18-13/h1-9H,17H2
• InChIKey: OZGGZYLWBXHHEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-chlorophenoxy)quinolin-5-amine
• IUPAC Traditional name: 6-(4-chlorophenoxy)quinolin-5-amine
• Synonyms: 6-(4-chlorophenoxy)quinolin-5-amine

Database IDs

• MDL Number: MFCD12719483
• PubChem SID: 164301028
• PubChem CID: 43809796

CALCULATED PROPERTIES

• Acid pKa: 18.335508
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.1759026
• LogD (pH = 7.4): 3.4023676
• Log P: 3.4063063
• Molar Refractivity: 75.7253 cm^3
• Polarizability: 30.273674 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 124 - 126°C
• Hydrophobicity(logP): 4.468

Product Information

• Purity: 95%