(2S)-2-hydroxy-2-{4-methoxy-2H,3H-furo[2,3-b]quinolin-2-yl}propyl acetate

• ChemBase ID: 189634
• Molecular Formular: C17H19NO5
• Molecular Mass: 317.33646
• Monoisotopic Mass: 317.12632271
• SMILES: c12c(nc3c(c1OC)cccc3)OC(C2)C(COC(=O)C)(O)C
• Canonical SMILES: COc1c2CC(Oc2nc2c1cccc2)C(COC(=O)C)(O)C
• InChI: InChI=1S/C17H19NO5/c1-10(19)22-9-17(2,20)14-8-12-15(21-3)11-6-4-5-7-13(11)18-16(12)23-14/h4-7,14,20H,8-9H2,1-3H3/t14?,17-/m0/s1
• InChIKey: ICXADQHBWHLSCI-JRZJBTRGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-hydroxy-2-{4-methoxy-2H,3H-furo[2,3-b]quinolin-2-yl}propyl acetate
• IUPAC Traditional name: (2S)-2-hydroxy-2-{4-methoxy-2H,3H-furo[2,3-b]quinolin-2-yl}propyl acetate

Database IDs

• PubChem SID: 164245544
• PubChem CID: 16397343

CALCULATED PROPERTIES

• Acid pKa: 13.239293
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.8962444
• LogD (pH = 7.4): 1.9107474
• Log P: 1.9109361
• Molar Refractivity: 82.2435 cm^3
• Polarizability: 33.610893 Å^3
• Polar Surface Area: 77.88 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Genuine Natural Compounds