2-(morpholin-3-yl)-N-(quinolin-8-yl)acetamide

• ChemBase ID: 689320
• Molecular Formular: C15H17N3O2
• Molecular Mass: 271.31438
• Monoisotopic Mass: 271.1320768
• SMILES: C(=O)(Nc1c2ncccc2ccc1)CC1NCCOC1
• Canonical SMILES: O=C(Nc1cccc2c1nccc2)CC1COCCN1
• InChI: InChI=1S/C15H17N3O2/c19-14(9-12-10-20-8-7-16-12)18-13-5-1-3-11-4-2-6-17-15(11)13/h1-6,12,16H,7-10H2,(H,18,19)
• InChIKey: ZNFLSARIGLYDTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-3-yl)-N-(quinolin-8-yl)acetamide
• IUPAC Traditional name: 2-(morpholin-3-yl)-N-(quinolin-8-yl)acetamide
• Synonyms: 2-(3-morpholinyl)-N-8-quinolinylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.3310995
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.3365554
• LogD (pH = 7.4): 0.38330647
• Log P: 0.95534074
• Molar Refractivity: 76.4207 cm^3
• Polarizability: 30.684984 Å^3
• Polar Surface Area: 63.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.98
• LOG S: -2.02
• Polar Surface Area: 63.25 Å^2
• Rotatable Bonds: 3