2-(4-oxo-3,4-dihydroquinazolin-3-yl)-N-[1-(pyrazin-2-yl)piperidin-4-yl]acetamide

• ChemBase ID: 572029
• Molecular Formular: C19H20N6O2
• Molecular Mass: 364.4011
• Monoisotopic Mass: 364.16477391
• SMILES: n1(c(=O)c2c(nc1)cccc2)CC(=O)NC1CCN(c2nccnc2)CC1
• Canonical SMILES: O=C(Cn1cnc2c(c1=O)cccc2)NC1CCN(CC1)c1cnccn1
• InChI: InChI=1S/C19H20N6O2/c26-18(12-25-13-22-16-4-2-1-3-15(16)19(25)27)23-14-5-9-24(10-6-14)17-11-20-7-8-21-17/h1-4,7-8,11,13-14H,5-6,9-10,12H2,(H,23,26)
• InChIKey: UGIBFJZGEOGHHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-oxo-3,4-dihydroquinazolin-3-yl)-N-[1-(pyrazin-2-yl)piperidin-4-yl]acetamide
• IUPAC Traditional name: 2-(4-oxoquinazolin-3-yl)-N-[1-(pyrazin-2-yl)piperidin-4-yl]acetamide
• Synonyms: 2-(4-oxo-3(4H)-quinazolinyl)-N-[1-(2-pyrazinyl)-4-piperidinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.584697
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.08107711
• LogD (pH = 7.4): -0.07984216
• Log P: -0.07982637
• Molar Refractivity: 102.5489 cm^3
• Polarizability: 37.326878 Å^3
• Polar Surface Area: 90.79 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: 0.1
• LOG S: -3.25
• Polar Surface Area: 93.01 Å^2
• Rotatable Bonds: 4