1-(2-{[(4-hydroxy-5,8-dimethylquinolin-2-yl)methyl]amino}ethyl)imidazolidin-2-one

• ChemBase ID: 517861
• Molecular Formular: C17H22N4O2
• Molecular Mass: 314.38218
• Monoisotopic Mass: 314.17427596
• SMILES: c12c(c(cc(n1)CNCCN1C(=O)NCC1)O)c(ccc2C)C
• Canonical SMILES: Cc1ccc(c2c1nc(CNCCN1CCNC1=O)cc2O)C
• InChI: InChI=1S/C17H22N4O2/c1-11-3-4-12(2)16-15(11)14(22)9-13(20-16)10-18-5-7-21-8-6-19-17(21)23/h3-4,9,18H,5-8,10H2,1-2H3,(H,19,23)(H,20,22)
• InChIKey: LLSUIJTYGAUDIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-{[(4-hydroxy-5,8-dimethylquinolin-2-yl)methyl]amino}ethyl)imidazolidin-2-one
• IUPAC Traditional name: 1-(2-{[(4-hydroxy-5,8-dimethylquinolin-2-yl)methyl]amino}ethyl)imidazolidin-2-one
• Synonyms: 1-(2-{[(4-hydroxy-5,8-dimethylquinolin-2-yl)methyl]amino}ethyl)imidazolidin-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.37311
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.5951743
• LogD (pH = 7.4): 1.0531527
• Log P: 1.4581431
• Molar Refractivity: 88.6631 cm^3
• Polarizability: 35.261166 Å^3
• Polar Surface Area: 77.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 2.44
• LOG S: -3.58
• Polar Surface Area: 77.49 Å^2
• Rotatable Bonds: 5