6-[5-(morpholine-4-carbonyl)pyridin-2-yl]quinoline

• ChemBase ID: 481069
• Molecular Formular: C19H17N3O2
• Molecular Mass: 319.35718
• Monoisotopic Mass: 319.1320768
• SMILES: C(=O)(c1cnc(c2cc3c(nccc3)cc2)cc1)N1CCOCC1
• Canonical SMILES: O=C(c1ccc(nc1)c1ccc2c(c1)cccn2)N1CCOCC1
• InChI: InChI=1S/C19H17N3O2/c23-19(22-8-10-24-11-9-22)16-4-6-18(21-13-16)15-3-5-17-14(12-15)2-1-7-20-17/h1-7,12-13H,8-11H2
• InChIKey: RRCYIEFARYWBDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[5-(morpholine-4-carbonyl)pyridin-2-yl]quinoline
• IUPAC Traditional name: 6-[5-(morpholine-4-carbonyl)pyridin-2-yl]quinoline
• Synonyms: 6-[5-(morpholin-4-ylcarbonyl)pyridin-2-yl]quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9980545
• LogD (pH = 7.4): 2.025435
• Log P: 2.0257957
• Molar Refractivity: 90.5329 cm^3
• Polarizability: 37.19398 Å^3
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.43
• LOG S: -1.9
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 2