2-[2-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 410913
• Molecular Formular: C19H24N4O3
• Molecular Mass: 356.41886
• Monoisotopic Mass: 356.18484065
• SMILES: N1(C(=O)N(Cc2c1cccc2)C)CC(=O)N1CC2(C(=O)NCCC2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCNC2=O)CN1C(=O)N(C)Cc2c1cccc2
• InChI: InChI=1S/C19H24N4O3/c1-21-11-14-5-2-3-6-15(14)23(18(21)26)12-16(24)22-10-8-19(13-22)7-4-9-20-17(19)25/h2-3,5-6H,4,7-13H2,1H3,(H,20,25)
• InChIKey: IXEARFQITXMWLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-[2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 3-methyl-1-[2-oxo-2-(6-oxo-2,7-diazaspiro[4.5]dec-2-yl)ethyl]-3,4-dihydro-2(1H)-quinazolinone

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.877478
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.21331814
• LogD (pH = 7.4): -0.21331818
• Log P: -0.21331805
• Molar Refractivity: 96.478 cm^3
• Polarizability: 36.86249 Å^3
• Polar Surface Area: 72.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.16
• LOG S: -3.25
• Polar Surface Area: 72.96 Å^2
• Rotatable Bonds: 2