6-[2-(morpholin-4-ylmethyl)phenyl]quinoline

• ChemBase ID: 738781
• Molecular Formular: C20H20N2O
• Molecular Mass: 304.3856
• Monoisotopic Mass: 304.15756327
• SMILES: c1(c2c(CN3CCOCC3)cccc2)cc2c(nccc2)cc1
• Canonical SMILES: O1CCN(CC1)Cc1ccccc1c1ccc2c(c1)cccn2
• InChI: InChI=1S/C20H20N2O/c1-2-6-19(18(4-1)15-22-10-12-23-13-11-22)16-7-8-20-17(14-16)5-3-9-21-20/h1-9,14H,10-13,15H2
• InChIKey: HERMQHZCDNSFMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[2-(morpholin-4-ylmethyl)phenyl]quinoline
• IUPAC Traditional name: 6-[2-(morpholin-4-ylmethyl)phenyl]quinoline
• Synonyms: 6-[2-(morpholin-4-ylmethyl)phenyl]quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4636647
• LogD (pH = 7.4): 3.133501
• Log P: 3.501022
• Molar Refractivity: 92.7327 cm^3
• Polarizability: 38.767273 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.36
• LOG S: -3.29
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 3