7-bromo-3-propylquinolin-2-amine

• ChemBase ID: 805076
• Molecular Formular: C12H13BrN2
• Molecular Mass: 265.14902
• Monoisotopic Mass: 264.02621043
• SMILES: c1(cc2c(cc1)cc(c(n2)N)CCC)Br
• Canonical SMILES: CCCc1cc2ccc(cc2nc1N)Br
• InChI: InChI=1S/C12H13BrN2/c1-2-3-9-6-8-4-5-10(13)7-11(8)15-12(9)14/h4-7H,2-3H2,1H3,(H2,14,15)
• InChIKey: PGPWOKVCGADTFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromo-3-propylquinolin-2-amine
• IUPAC Traditional name: 7-bromo-3-propylquinolin-2-amine
• Synonyms: 2-AMINO-7-BROMO-3-PROPYLQUINOLINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.6648488
• LogD (pH = 7.4): 4.0592823
• Log P: 4.0677433
• Molar Refractivity: 66.8592 cm^3
• Polarizability: 26.184893 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%