4-[3-(2-methyl-1H-imidazol-1-yl)propyl]-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-3-one

• ChemBase ID: 381433
• Molecular Formular: C14H16N4O2
• Molecular Mass: 272.30244
• Monoisotopic Mass: 272.12732577
• SMILES: N1(c2c(OCC1=O)cccn2)CCCn1c(ncc1)C
• Canonical SMILES: O=C1COc2c(N1CCCn1ccnc1C)nccc2
• InChI: InChI=1S/C14H16N4O2/c1-11-15-6-9-17(11)7-3-8-18-13(19)10-20-12-4-2-5-16-14(12)18/h2,4-6,9H,3,7-8,10H2,1H3
• InChIKey: DRSBATRSKHDSRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(2-methyl-1H-imidazol-1-yl)propyl]-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-3-one
• IUPAC Traditional name: 4-[3-(2-methylimidazol-1-yl)propyl]-2H-pyrido[3,2-b][1,4]oxazin-3-one
• Synonyms: 4-[3-(2-methyl-1H-imidazol-1-yl)propyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.92777395
• LogD (pH = 7.4): -0.15956017
• Log P: 0.085416496
• Molar Refractivity: 73.3442 cm^3
• Polarizability: 27.983788 Å^3
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.2
• LOG S: -2.33
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 4