5-(4-{4-[(2-hydroxyethyl)amino]quinazolin-6-yl}phenyl)imidazolidine-2,4-dione

• ChemBase ID: 488575
• Molecular Formular: C19H17N5O3
• Molecular Mass: 363.36998
• Monoisotopic Mass: 363.13313943
• SMILES: N1C(=O)C(NC1=O)c1ccc(c2cc3c(ncnc3cc2)NCCO)cc1
• Canonical SMILES: OCCNc1ncnc2c1cc(cc2)c1ccc(cc1)C1NC(=O)NC1=O
• InChI: InChI=1S/C19H17N5O3/c25-8-7-20-17-14-9-13(5-6-15(14)21-10-22-17)11-1-3-12(4-2-11)16-18(26)24-19(27)23-16/h1-6,9-10,16,25H,7-8H2,(H,20,21,22)(H2,23,24,26,27)
• InChIKey: LTKKYUABIWSMAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-{4-[(2-hydroxyethyl)amino]quinazolin-6-yl}phenyl)imidazolidine-2,4-dione
• IUPAC Traditional name: 5-(4-{4-[(2-hydroxyethyl)amino]quinazolin-6-yl}phenyl)imidazolidine-2,4-dione
• Synonyms: 5-(4-{4-[(2-hydroxyethyl)amino]quinazolin-6-yl}phenyl)imidazolidine-2,4-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.572154
• H Acceptors: 6
• H Donor: 4
• LogD (pH = 5.5): 0.8862453
• LogD (pH = 7.4): 0.9584572
• Log P: 0.96238464
• Molar Refractivity: 100.0823 cm^3
• Polarizability: 39.63405 Å^3
• Polar Surface Area: 116.24 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 4
• Log P: 0.99
• LOG S: -2.69
• Polar Surface Area: 116.24 Å^2
• Rotatable Bonds: 5