2-(morpholin-4-yl)-1-[4-(quinolin-8-yl)phenyl]ethan-1-ol

• ChemBase ID: 549253
• Molecular Formular: C21H22N2O2
• Molecular Mass: 334.41158
• Monoisotopic Mass: 334.16812795
• SMILES: c12c(c3ccc(C(CN4CCOCC4)O)cc3)cccc2cccn1
• Canonical SMILES: OC(c1ccc(cc1)c1cccc2c1nccc2)CN1CCOCC1
• InChI: InChI=1S/C21H22N2O2/c24-20(15-23-11-13-25-14-12-23)17-8-6-16(7-9-17)19-5-1-3-18-4-2-10-22-21(18)19/h1-10,20,24H,11-15H2
• InChIKey: KFPVEALPRAIPGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)-1-[4-(quinolin-8-yl)phenyl]ethan-1-ol
• IUPAC Traditional name: 2-(morpholin-4-yl)-1-[4-(quinolin-8-yl)phenyl]ethanol
• Synonyms: 2-morpholin-4-yl-1-(4-quinolin-8-ylphenyl)ethanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.077648
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5133299
• LogD (pH = 7.4): 2.7670357
• Log P: 2.8706872
• Molar Refractivity: 98.6952 cm^3
• Polarizability: 41.16014 Å^3
• Polar Surface Area: 45.59 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.95
• LOG S: -3.15
• Polar Surface Area: 45.59 Å^2
• Rotatable Bonds: 4