7-hydroxy-4-[1-(4-methoxyphenyl)-1H-imidazol-2-yl]-6-methyl-1,2,3,4-tetrahydroquinolin-2-one

• ChemBase ID: 336166
• Molecular Formular: C20H19N3O3
• Molecular Mass: 349.38316
• Monoisotopic Mass: 349.14264148
• SMILES: c1(n(c2ccc(cc2)OC)ccn1)C1c2c(NC(=O)C1)cc(c(c2)C)O
• Canonical SMILES: COc1ccc(cc1)n1ccnc1C1CC(=O)Nc2c1cc(C)c(c2)O
• InChI: InChI=1S/C20H19N3O3/c1-12-9-15-16(10-19(25)22-17(15)11-18(12)24)20-21-7-8-23(20)13-3-5-14(26-2)6-4-13/h3-9,11,16,24H,10H2,1-2H3,(H,22,25)
• InChIKey: OKDCGAFZRVHDOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-hydroxy-4-[1-(4-methoxyphenyl)-1H-imidazol-2-yl]-6-methyl-1,2,3,4-tetrahydroquinolin-2-one
• IUPAC Traditional name: 7-hydroxy-4-[1-(4-methoxyphenyl)imidazol-2-yl]-6-methyl-3,4-dihydro-1H-quinolin-2-one
• Synonyms: 7-hydroxy-4-[1-(4-methoxyphenyl)-1H-imidazol-2-yl]-6-methyl-3,4-dihydroquinolin-2(1H)-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.5332775
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.4481466
• LogD (pH = 7.4): 2.860584
• Log P: 2.874369
• Molar Refractivity: 109.7145 cm^3
• Polarizability: 37.87718 Å^3
• Polar Surface Area: 76.38 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.19
• LOG S: -3.61
• Polar Surface Area: 76.38 Å^2
• Rotatable Bonds: 3