6-[(1-cyclohexyl-1H-imidazol-5-yl)methyl]-5,6-dihydro-1,6-naphthyridin-5-one

• ChemBase ID: 437808
• Molecular Formular: C18H20N4O
• Molecular Mass: 308.3776
• Monoisotopic Mass: 308.16371128
• SMILES: c1(=O)n(ccc2c1cccn2)Cc1n(cnc1)C1CCCCC1
• Canonical SMILES: O=c1n(ccc2c1cccn2)Cc1cncn1C1CCCCC1
• InChI: InChI=1S/C18H20N4O/c23-18-16-7-4-9-20-17(16)8-10-21(18)12-15-11-19-13-22(15)14-5-2-1-3-6-14/h4,7-11,13-14H,1-3,5-6,12H2
• InChIKey: MDMVPXYXUCJWPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[(1-cyclohexyl-1H-imidazol-5-yl)methyl]-5,6-dihydro-1,6-naphthyridin-5-one
• IUPAC Traditional name: 6-[(3-cyclohexylimidazol-4-yl)methyl]-1,6-naphthyridin-5-one
• Synonyms: 6-[(1-cyclohexyl-1H-imidazol-5-yl)methyl]-1,6-naphthyridin-5(6H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6414871
• LogD (pH = 7.4): 2.0824814
• Log P: 2.1128452
• Molar Refractivity: 89.0843 cm^3
• Polarizability: 33.53717 Å^3
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.9
• LOG S: -3.07
• Polar Surface Area: 52.71 Å^2
• Rotatable Bonds: 3