2,6-dimethyl-3-(morpholine-4-carbonyl)quinoline

• ChemBase ID: 697615
• Molecular Formular: C16H18N2O2
• Molecular Mass: 270.32632
• Monoisotopic Mass: 270.13682783
• SMILES: c1(C(=O)N2CCOCC2)c(nc2c(c1)cc(cc2)C)C
• Canonical SMILES: O=C(c1cc2cc(C)ccc2nc1C)N1CCOCC1
• InChI: InChI=1S/C16H18N2O2/c1-11-3-4-15-13(9-11)10-14(12(2)17-15)16(19)18-5-7-20-8-6-18/h3-4,9-10H,5-8H2,1-2H3
• InChIKey: SCLBGFRLPPCBSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethyl-3-(morpholine-4-carbonyl)quinoline
• IUPAC Traditional name: 2,6-dimethyl-3-(morpholine-4-carbonyl)quinoline
• Synonyms: 2,6-dimethyl-3-(4-morpholinylcarbonyl)quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8398442
• LogD (pH = 7.4): 1.8549874
• Log P: 1.855184
• Molar Refractivity: 77.5583 cm^3
• Polarizability: 30.636227 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.05
• LOG S: -2.62
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 1