8-bromo-2,4-dimethylfuro[3,2-c]quinoline

• ChemBase ID: 184419
• Molecular Formular: C13H10BrNO
• Molecular Mass: 276.1286
• Monoisotopic Mass: 274.99457595
• SMILES: c12c(c(nc3c1cc(cc3)Br)C)cc(o2)C
• Canonical SMILES: Brc1ccc2c(c1)c1oc(cc1c(n2)C)C
• InChI: InChI=1S/C13H10BrNO/c1-7-5-10-8(2)15-12-4-3-9(14)6-11(12)13(10)16-7/h3-6H,1-2H3
• InChIKey: CVYDRJVACMWWHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-bromo-2,4-dimethylfuro[3,2-c]quinoline
• IUPAC Traditional name: 8-bromo-2,4-dimethylfuro[3,2-c]quinoline

Database IDs

• PubChem SID: 164240329
• PubChem CID: 870345

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3882554
• LogD (pH = 7.4): 3.3896897
• Log P: 3.389708
• Molar Refractivity: 66.1844 cm^3
• Polarizability: 27.504421 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds