5-{4-[(2-hydroxyethyl)amino]quinazolin-6-yl}-1,2-dihydropyridin-2-one

• ChemBase ID: 626628
• Molecular Formular: C15H14N4O2
• Molecular Mass: 282.29726
• Monoisotopic Mass: 282.11167571
• SMILES: c12cc(c3c[nH]c(=O)cc3)ccc2ncnc1NCCO
• Canonical SMILES: OCCNc1ncnc2c1cc(cc2)c1ccc(=O)[nH]c1
• InChI: InChI=1S/C15H14N4O2/c20-6-5-16-15-12-7-10(1-3-13(12)18-9-19-15)11-2-4-14(21)17-8-11/h1-4,7-9,20H,5-6H2,(H,17,21)(H,16,18,19)
• InChIKey: VAMSEQBQUJWQTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{4-[(2-hydroxyethyl)amino]quinazolin-6-yl}-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 5-{4-[(2-hydroxyethyl)amino]quinazolin-6-yl}-1H-pyridin-2-one
• Synonyms: 5-{4-[(2-hydroxyethyl)amino]quinazolin-6-yl}pyridin-2(1H)-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.247753
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 0.28868243
• LogD (pH = 7.4): 0.36065358
• Log P: 0.36171085
• Molar Refractivity: 81.9644 cm^3
• Polarizability: 30.75832 Å^3
• Polar Surface Area: 87.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 0.39
• LOG S: -1.59
• Polar Surface Area: 90.9 Å^2
• Rotatable Bonds: 4