1-[(1-cyclohexyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroquinolin-2-one

• ChemBase ID: 676205
• Molecular Formular: C19H23N3O
• Molecular Mass: 309.40542
• Monoisotopic Mass: 309.18411237
• SMILES: N1(Cc2n(cnc2)C2CCCCC2)C(=O)CCc2c1cccc2
• Canonical SMILES: O=C1CCc2c(N1Cc1cncn1C1CCCCC1)cccc2
• InChI: InChI=1S/C19H23N3O/c23-19-11-10-15-6-4-5-9-18(15)21(19)13-17-12-20-14-22(17)16-7-2-1-3-8-16/h4-6,9,12,14,16H,1-3,7-8,10-11,13H2
• InChIKey: RVBFREHXBDYWRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(1-cyclohexyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroquinolin-2-one
• IUPAC Traditional name: 1-[(3-cyclohexylimidazol-4-yl)methyl]-3,4-dihydroquinolin-2-one
• Synonyms: 1-[(1-cyclohexyl-1H-imidazol-5-yl)methyl]-3,4-dihydroquinolin-2(1H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4612687
• LogD (pH = 7.4): 2.8993146
• Log P: 2.9296358
• Molar Refractivity: 90.6576 cm^3
• Polarizability: 34.804314 Å^3
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.17
• LOG S: -4.16
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 3