1-[4-(furan-2-yl)-2H,3H,3aH,4H,5H,9bH-furo[3,2-c]quinolin-5-yl]propan-1-one

• ChemBase ID: 195422
• Molecular Formular: C18H19NO3
• Molecular Mass: 297.34836
• Monoisotopic Mass: 297.13649347
• SMILES: N1(C(C2C(c3c1cccc3)OCC2)c1occc1)C(=O)CC
• Canonical SMILES: CCC(=O)N1C(c2ccco2)C2CCOC2c2c1cccc2
• InChI: InChI=1S/C18H19NO3/c1-2-16(20)19-14-7-4-3-6-12(14)18-13(9-11-22-18)17(19)15-8-5-10-21-15/h3-8,10,13,17-18H,2,9,11H2,1H3
• InChIKey: GMILVLBJMWHFQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(furan-2-yl)-2H,3H,3aH,4H,5H,9bH-furo[3,2-c]quinolin-5-yl]propan-1-one
• IUPAC Traditional name: 1-[4-(furan-2-yl)-2H,3H,3aH,4H,9bH-furo[3,2-c]quinolin-5-yl]propan-1-one

Database IDs

• PubChem SID: 164251332
• PubChem CID: 3561757

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4498143
• LogD (pH = 7.4): 2.4498143
• Log P: 2.4498143
• Molar Refractivity: 82.156 cm^3
• Polarizability: 31.941488 Å^3
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds