3-methoxy-1-({6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-1,2-dihydropyridin-2-one

• ChemBase ID: 839020
• Molecular Formular: C16H15N3O3
• Molecular Mass: 297.3086
• Monoisotopic Mass: 297.11134136
• SMILES: n12c(nc(cc1=O)Cn1c(=O)c(ccc1)OC)cccc2C
• Canonical SMILES: COc1cccn(c1=O)Cc1cc(=O)n2c(n1)cccc2C
• InChI: InChI=1S/C16H15N3O3/c1-11-5-3-7-14-17-12(9-15(20)19(11)14)10-18-8-4-6-13(22-2)16(18)21/h3-9H,10H2,1-2H3
• InChIKey: UJBPYXNITQYVII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-1-({6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 3-methoxy-1-({6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl}methyl)pyridin-2-one
• Synonyms: 2-[(3-methoxy-2-oxopyridin-1(2H)-yl)methyl]-6-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.5204181
• LogD (pH = 7.4): 0.5204198
• Log P: 0.52041984
• Molar Refractivity: 87.5103 cm^3
• Polarizability: 30.660933 Å^3
• Polar Surface Area: 62.21 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.97
• LOG S: -2.2
• Polar Surface Area: 65.6 Å^2
• Rotatable Bonds: 3