5-(morpholin-4-ylmethyl)quinolin-8-ol

• ChemBase ID: 267218
• Molecular Formular: C14H16N2O2
• Molecular Mass: 244.28904
• Monoisotopic Mass: 244.12117776
• SMILES: c12c(c(CN3CCOCC3)ccc2O)cccn1
• Canonical SMILES: Oc1ccc(c2c1nccc2)CN1CCOCC1
• InChI: InChI=1S/C14H16N2O2/c17-13-4-3-11(10-16-6-8-18-9-7-16)12-2-1-5-15-14(12)13/h1-5,17H,6-10H2
• InChIKey: AKUILKRKGZEPQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(morpholin-4-ylmethyl)quinolin-8-ol
• IUPAC Traditional name: 5-(morpholin-4-ylmethyl)quinolin-8-ol
• Synonyms: 5-(morpholin-4-ylmethyl)quinolin-8-ol; 5-(4-morpholinylmethyl)-8-quinolinol

Database IDs

• CAS Number: 312611-90-8
• MDL Number: MFCD00732062
• PubChem SID: 164323128
• PubChem CID: 1090303

CALCULATED PROPERTIES

• Acid pKa: 8.832531
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.10625231
• LogD (pH = 7.4): 1.4070952
• Log P: 1.4541956
• Molar Refractivity: 69.5774 cm^3
• Polarizability: 28.25891 Å^3
• Polar Surface Area: 45.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.824

Product Information

• Purity: 95%