N-methyl-N-(oxan-2-ylmethyl)-2-{3-oxo-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-4-yl}acetamide

• ChemBase ID: 847619
• Molecular Formular: C16H21N3O4
• Molecular Mass: 319.35564
• Monoisotopic Mass: 319.15320617
• SMILES: N1(c2c(OCC1=O)cccn2)CC(=O)N(CC1OCCCC1)C
• Canonical SMILES: O=C(N(CC1CCCCO1)C)CN1C(=O)COc2c1nccc2
• InChI: InChI=1S/C16H21N3O4/c1-18(9-12-5-2-3-8-22-12)14(20)10-19-15(21)11-23-13-6-4-7-17-16(13)19/h4,6-7,12H,2-3,5,8-11H2,1H3
• InChIKey: FZAKRWUWZYTMJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(oxan-2-ylmethyl)-2-{3-oxo-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-4-yl}acetamide
• IUPAC Traditional name: N-methyl-N-(oxan-2-ylmethyl)-2-{3-oxo-2H-pyrido[3,2-b][1,4]oxazin-4-yl}acetamide
• Synonyms: N-methyl-2-(3-oxo-2,3-dihydro-4H-pyrido[3,2-b][1,4]oxazin-4-yl)-N-(tetrahydro-2H-pyran-2-ylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.23213
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.023245452
• LogD (pH = 7.4): -0.022987656
• Log P: -0.022984369
• Molar Refractivity: 82.6535 cm^3
• Polarizability: 32.075436 Å^3
• Polar Surface Area: 71.97 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.52
• LOG S: -2.4
• Polar Surface Area: 71.97 Å^2
• Rotatable Bonds: 4