6-bromo-7-methylquinolin-4-amine

• ChemBase ID: 88736
• Molecular Formular: C10H9BrN2
• Molecular Mass: 237.09586
• Monoisotopic Mass: 235.9949103
• SMILES: n1ccc(c2cc(c(cc12)C)Br)N
• Canonical SMILES: Brc1cc2c(N)ccnc2cc1C
• InChI: InChI=1S/C10H9BrN2/c1-6-4-10-7(5-8(6)11)9(12)2-3-13-10/h2-5H,1H3,(H2,12,13)
• InChIKey: DSLIUGWNXLNDDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-7-methylquinolin-4-amine
• IUPAC Traditional name: 6-bromo-7-methylquinolin-4-amine
• Synonyms: 6-Bromo-7-methylquinolin-4-amine; 4-Amino-6-bromo-7-methylquinoline

Database IDs

• PubChem SID: 162104675
• PubChem CID: 45599389

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2810684
• LogD (pH = 7.4): 2.0543988
• Log P: 2.5841486
• Molar Refractivity: 57.3437 cm^3
• Polarizability: 22.517454 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Air Sensitive/Light Sensitive/Store under Argon