7-chloro-8-methylquinolin-4-amine

• ChemBase ID: 805189
• Molecular Formular: C10H9ClN2
• Molecular Mass: 192.64486
• Monoisotopic Mass: 192.04542598
• SMILES: c1(c(c2c(cc1)c(ccn2)N)C)Cl
• Canonical SMILES: Clc1ccc2c(c1C)nccc2N
• InChI: InChI=1S/C10H9ClN2/c1-6-8(11)3-2-7-9(12)4-5-13-10(6)7/h2-5H,1H3,(H2,12,13)
• InChIKey: FNGXNKXNUACWTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-8-methylquinolin-4-amine
• IUPAC Traditional name: 7-chloro-8-methylquinolin-4-amine
• Synonyms: 4-AMINO-7-CHLORO-8-METHYLQUINOLINE

Database IDs

• CAS Number: 948293-41-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1687039
• LogD (pH = 7.4): 2.1147969
• Log P: 2.4194405
• Molar Refractivity: 54.5257 cm^3
• Polarizability: 21.714613 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%