4,8-dimethoxy-7-(prop-2-en-1-yloxy)furo[2,3-b]quinoline

• ChemBase ID: 211478
• Molecular Formular: C16H15NO4
• Molecular Mass: 285.2946
• Monoisotopic Mass: 285.10010797
• SMILES: c12nc3c(c(c1ccc(c2OC)OCC=C)OC)cco3
• Canonical SMILES: C=CCOc1ccc2c(c1OC)nc1c(c2OC)cco1
• InChI: InChI=1S/C16H15NO4/c1-4-8-20-12-6-5-10-13(15(12)19-3)17-16-11(7-9-21-16)14(10)18-2/h4-7,9H,1,8H2,2-3H3
• InChIKey: JCPMMCWEZKWTTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,8-dimethoxy-7-(prop-2-en-1-yloxy)furo[2,3-b]quinoline
• IUPAC Traditional name: 4,8-dimethoxy-7-(prop-2-en-1-yloxy)furo[2,3-b]quinoline

Database IDs

• PubChem SID: 164267388
• PubChem CID: 4464761

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.9156473
• LogD (pH = 7.4): 2.915721
• Log P: 2.915722
• Molar Refractivity: 77.3253 cm^3
• Polarizability: 31.659197 Å^3
• Polar Surface Area: 53.72 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds