2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(pyridin-3-yl)-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide

• ChemBase ID: 834634
• Molecular Formular: C18H18N6O3
• Molecular Mass: 366.37392
• Monoisotopic Mass: 366.14403847
• SMILES: N1(C(=O)NCC1=O)CC(=O)NC1c2c(nc(nc2)c2cnccc2)CCC1
• Canonical SMILES: O=C(NC1CCCc2c1cnc(n2)c1cccnc1)CN1C(=O)CNC1=O
• InChI: InChI=1S/C18H18N6O3/c25-15(10-24-16(26)9-21-18(24)27)22-13-4-1-5-14-12(13)8-20-17(23-14)11-3-2-6-19-7-11/h2-3,6-8,13H,1,4-5,9-10H2,(H,21,27)(H,22,25)
• InChIKey: FOWAWYNBKNDELL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(pyridin-3-yl)-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
• IUPAC Traditional name: 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(pyridin-3-yl)-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
• Synonyms: 2-(2,5-dioxoimidazolidin-1-yl)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.7971325
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -0.3142239
• LogD (pH = 7.4): -0.30562878
• Log P: -0.30550045
• Molar Refractivity: 105.0354 cm^3
• Polarizability: 36.639847 Å^3
• Polar Surface Area: 117.18 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 0.28
• LOG S: -3.42
• Polar Surface Area: 117.18 Å^2
• Rotatable Bonds: 4