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

• ChemBase ID: 184353
• Molecular Formular: C14H14BrNO2
• Molecular Mass: 308.17046
• Monoisotopic Mass: 307.02079069
• SMILES: c12c(c(nc3c1cc(cc3)OC)C)CC(O2)CBr
• Canonical SMILES: BrCC1Cc2c(O1)c1cc(OC)ccc1nc2C
• InChI: InChI=1S/C14H14BrNO2/c1-8-11-6-10(7-15)18-14(11)12-5-9(17-2)3-4-13(12)16-8/h3-5,10H,6-7H2,1-2H3
• InChIKey: LDEGAENBICTXDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164240263
• PubChem CID: 3123577

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6680213
• LogD (pH = 7.4): 2.7938302
• Log P: 2.8965688
• Molar Refractivity: 72.8038 cm^3
• Polarizability: 29.229628 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds