1-{2-[(6,7-dimethoxy-4-methylquinolin-2-yl)amino]ethyl}imidazolidin-2-one

• ChemBase ID: 318962
• Molecular Formular: C17H22N4O3
• Molecular Mass: 330.38158
• Monoisotopic Mass: 330.16919058
• SMILES: C1(=O)N(CCNc2nc3c(cc(c(c3)OC)OC)c(c2)C)CCN1
• Canonical SMILES: Cc1cc(NCCN2CCNC2=O)nc2c1cc(OC)c(c2)OC
• InChI: InChI=1S/C17H22N4O3/c1-11-8-16(18-4-6-21-7-5-19-17(21)22)20-13-10-15(24-3)14(23-2)9-12(11)13/h8-10H,4-7H2,1-3H3,(H,18,20)(H,19,22)
• InChIKey: HBGDCVVFCUVVMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2-[(6,7-dimethoxy-4-methylquinolin-2-yl)amino]ethyl}imidazolidin-2-one
• IUPAC Traditional name: 1-{2-[(6,7-dimethoxy-4-methylquinolin-2-yl)amino]ethyl}imidazolidin-2-one
• Synonyms: 1-{2-[(6,7-dimethoxy-4-methylquinolin-2-yl)amino]ethyl}imidazolidin-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.775839
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.18742724
• LogD (pH = 7.4): 1.0944381
• Log P: 1.3603594
• Molar Refractivity: 92.3489 cm^3
• Polarizability: 35.69533 Å^3
• Polar Surface Area: 75.72 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.54
• LOG S: -3.78
• Polar Surface Area: 75.72 Å^2
• Rotatable Bonds: 6