5-[(diethylamino)methyl]quinolin-8-ol

• ChemBase ID: 249577
• Molecular Formular: C14H18N2O
• Molecular Mass: 230.30552
• Monoisotopic Mass: 230.14191321
• SMILES: c12c(c(CN(CC)CC)ccc2O)cccn1
• Canonical SMILES: CCN(Cc1ccc(c2c1cccn2)O)CC
• InChI: InChI=1S/C14H18N2O/c1-3-16(4-2)10-11-7-8-13(17)14-12(11)6-5-9-15-14/h5-9,17H,3-4,10H2,1-2H3
• InChIKey: QPWSNIQRSNHHSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(diethylamino)methyl]quinolin-8-ol
• IUPAC Traditional name: 5-[(diethylamino)methyl]quinolin-8-ol
• Synonyms: 5-[(diethylamino)methyl]quinolin-8-ol

Database IDs

• CAS Number: 22506-13-4
• MDL Number: MFCD06285492
• PubChem SID: 164305487
• PubChem CID: 5118730

CALCULATED PROPERTIES

• Acid pKa: 8.553249
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.9180317
• LogD (pH = 7.4): 0.3011969
• Log P: 1.3099254
• Molar Refractivity: 70.0001 cm^3
• Polarizability: 28.34608 Å^3
• Polar Surface Area: 36.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 60 - 62°C
• Hydrophobicity(logP): 2.969

Product Information

• Purity: 95%