2-(morpholin-4-yl)quinolin-8-ol

• ChemBase ID: 113391
• Molecular Formular: C13H14N2O2
• Molecular Mass: 230.26246
• Monoisotopic Mass: 230.1055277
• SMILES: n1c(N2CCOCC2)ccc2c1c(O)ccc2
• Canonical SMILES: Oc1cccc2c1nc(cc2)N1CCOCC1
• InChI: InChI=1S/C13H14N2O2/c16-11-3-1-2-10-4-5-12(14-13(10)11)15-6-8-17-9-7-15/h1-5,16H,6-9H2
• InChIKey: OBRGWSMLHPWHSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)quinolin-8-ol
• IUPAC Traditional name: 2-(morpholin-4-yl)quinolin-8-ol
• Synonyms: 2-(4-morpholinyl)-8-quinolinol; 2-Morpholin-4-yl-quinolin-8-ol

Database IDs

• CAS Number: 70125-21-2
• MDL Number: MFCD00168936
• PubChem SID: 162098908
• PubChem CID: 746752

CALCULATED PROPERTIES

• Acid pKa: 9.325806
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.7532731
• LogD (pH = 7.4): 2.282868
• Log P: 2.311336
• Molar Refractivity: 65.7768 cm^3
• Polarizability: 26.016308 Å^3
• Polar Surface Area: 45.59 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.684

Product Information

• Purity: 95+%