N-benzyl-7-chloroquinolin-4-amine

• ChemBase ID: 246967
• Molecular Formular: C16H13ClN2
• Molecular Mass: 268.74082
• Monoisotopic Mass: 268.07672611
• SMILES: c12c(cc(cc1)Cl)nccc2NCc1ccccc1
• Canonical SMILES: Clc1ccc2c(c1)nccc2NCc1ccccc1
• InChI: InChI=1S/C16H13ClN2/c17-13-6-7-14-15(8-9-18-16(14)10-13)19-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,18,19)
• InChIKey: IMBPMAAMRHSTEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-7-chloroquinolin-4-amine
• IUPAC Traditional name: N-benzyl-7-chloroquinolin-4-amine
• Synonyms: N-benzyl-7-chloroquinolin-4-amine

Database IDs

• MDL Number: MFCD07325309
• PubChem SID: 164302877
• PubChem CID: 4798096

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.720327
• LogD (pH = 7.4): 3.7049847
• Log P: 3.9321964
• Molar Refractivity: 79.5905 cm^3
• Polarizability: 31.421394 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.759

Product Information

• Purity: 95%