4-{2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl}-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-3-one

• ChemBase ID: 710761
• Molecular Formular: C19H24N4O5
• Molecular Mass: 388.41766
• Monoisotopic Mass: 388.17466989
• SMILES: N1(c2c(OCC1=O)cccn2)CC(=O)N1CC(C(=O)N2CCOCC2)CCC1
• Canonical SMILES: O=C(N1CCCC(C1)C(=O)N1CCOCC1)CN1C(=O)COc2c1nccc2
• InChI: InChI=1S/C19H24N4O5/c24-16(12-23-17(25)13-28-15-4-1-5-20-18(15)23)22-6-2-3-14(11-22)19(26)21-7-9-27-10-8-21/h1,4-5,14H,2-3,6-13H2
• InChIKey: NGXRWTRSMPSARM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl}-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-3-one
• IUPAC Traditional name: 4-{2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl}-2H-pyrido[3,2-b][1,4]oxazin-3-one
• Synonyms: 4-{2-[3-(morpholin-4-ylcarbonyl)piperidin-1-yl]-2-oxoethyl}-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.216684
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -1.2354763
• LogD (pH = 7.4): -1.2352182
• Log P: -1.235215
• Molar Refractivity: 98.7158 cm^3
• Polarizability: 38.13348 Å^3
• Polar Surface Area: 92.28 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -0.62
• LOG S: -2.81
• Polar Surface Area: 92.28 Å^2
• Rotatable Bonds: 3