6-chloro-8-methylquinolin-5-amine

• ChemBase ID: 257379
• Molecular Formular: C10H9ClN2
• Molecular Mass: 192.64486
• Monoisotopic Mass: 192.04542598
• SMILES: c12c(c(cc(c1nccc2)C)Cl)N
• Canonical SMILES: Clc1cc(C)c2c(c1N)cccn2
• InChI: InChI=1S/C10H9ClN2/c1-6-5-8(11)9(12)7-3-2-4-13-10(6)7/h2-5H,12H2,1H3
• InChIKey: XRRXXLJYPHYOLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-8-methylquinolin-5-amine
• IUPAC Traditional name: 6-chloro-8-methylquinolin-5-amine
• Synonyms: 6-chloro-8-methylquinolin-5-amine

Database IDs

• MDL Number: MFCD11505409
• PubChem SID: 164313289
• PubChem CID: 21430525

CALCULATED PROPERTIES

• Acid pKa: 19.806398
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3868976
• LogD (pH = 7.4): 2.4190137
• Log P: 2.4194405
• Molar Refractivity: 54.5257 cm^3
• Polarizability: 21.72128 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.806

Product Information

• Purity: 95%