2-(1-bromo-1-chloroethyl)-8-methoxy-4-methyl-2H,3H-furo[3,2-c]quinoline

• ChemBase ID: 187119
• Molecular Formular: C15H15BrClNO2
• Molecular Mass: 356.6421
• Monoisotopic Mass: 354.99746841
• SMILES: c12c(c(nc3c2cc(cc3)OC)C)CC(O1)C(Br)(Cl)C
• Canonical SMILES: COc1ccc2c(c1)c1OC(Cc1c(n2)C)C(Br)(Cl)C
• InChI: InChI=1S/C15H15BrClNO2/c1-8-10-7-13(15(2,16)17)20-14(10)11-6-9(19-3)4-5-12(11)18-8/h4-6,13H,7H2,1-3H3
• InChIKey: LGFBGYAWBRSPFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-bromo-1-chloroethyl)-8-methoxy-4-methyl-2H,3H-furo[3,2-c]quinoline
• IUPAC Traditional name: 2-(1-bromo-1-chloroethyl)-8-methoxy-4-methyl-2H,3H-furo[3,2-c]quinoline

Database IDs

• PubChem SID: 164243029
• PubChem CID: 2877200

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.314466
• LogD (pH = 7.4): 3.4327755
• Log P: 3.5315168
• Molar Refractivity: 82.7128 cm^3
• Polarizability: 32.9598 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds