methyl 2-[(1,2,3,4-tetrahydroquinolin-8-yloxy)methyl]furan-3-carboxylate hydrochloride

• ChemBase ID: 268750
• Molecular Formular: C16H18ClNO4
• Molecular Mass: 323.77142
• Monoisotopic Mass: 323.09243574
• SMILES: c1(c(occ1)COc1c2NCCCc2ccc1)C(=O)OC.Cl
• Canonical SMILES: COC(=O)c1ccoc1COc1cccc2c1NCCC2.Cl
• InChI: InChI=1S/C16H17NO4.ClH/c1-19-16(18)12-7-9-20-14(12)10-21-13-6-2-4-11-5-3-8-17-15(11)13;/h2,4,6-7,9,17H,3,5,8,10H2,1H3;1H
• InChIKey: RFZNFGAWSXCFNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-[(1,2,3,4-tetrahydroquinolin-8-yloxy)methyl]furan-3-carboxylate hydrochloride
• IUPAC Traditional name: methyl 2-[(1,2,3,4-tetrahydroquinolin-8-yloxy)methyl]furan-3-carboxylate hydrochloride
• Synonyms: methyl 2-[(1,2,3,4-tetrahydroquinolin-8-yloxy)methyl]furan-3-carboxylate hydrochloride

Database IDs

• MDL Number: MFCD16817430
• PubChem SID: 164324660
• PubChem CID: 50988562

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.3624017
• LogD (pH = 7.4): 2.557843
• Log P: 2.5610065
• Molar Refractivity: 79.6544 cm^3
• Polarizability: 29.609497 Å^3
• Polar Surface Area: 60.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.201

Product Information

• Purity: 95%