N-[(5-methylpyrazin-2-yl)methyl]-2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetamide

• ChemBase ID: 737486
• Molecular Formular: C16H15N5O2
• Molecular Mass: 309.3226
• Monoisotopic Mass: 309.12257475
• SMILES: n1(c(=O)c2c(nc1)cccc2)CC(=O)NCc1ncc(nc1)C
• Canonical SMILES: O=C(Cn1cnc2c(c1=O)cccc2)NCc1cnc(cn1)C
• InChI: InChI=1S/C16H15N5O2/c1-11-6-18-12(7-17-11)8-19-15(22)9-21-10-20-14-5-3-2-4-13(14)16(21)23/h2-7,10H,8-9H2,1H3,(H,19,22)
• InChIKey: QUHVQMVXETVINA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-methylpyrazin-2-yl)methyl]-2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetamide
• IUPAC Traditional name: N-[(5-methylpyrazin-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
• Synonyms: N-[(5-methyl-2-pyrazinyl)methyl]-2-(4-oxo-3(4H)-quinazolinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.841532
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.65604776
• LogD (pH = 7.4): -0.654911
• Log P: -0.65489507
• Molar Refractivity: 84.9677 cm^3
• Polarizability: 31.311567 Å^3
• Polar Surface Area: 87.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.59
• LOG S: -2.26
• Polar Surface Area: 89.77 Å^2
• Rotatable Bonds: 4