3-[3-oxo-3-(3-propylmorpholin-4-yl)propyl]-3,4-dihydroquinazolin-4-one

• ChemBase ID: 518167
• Molecular Formular: C18H23N3O3
• Molecular Mass: 329.39352
• Monoisotopic Mass: 329.17394161
• SMILES: c1(=O)n(cnc2c1cccc2)CCC(=O)N1C(COCC1)CCC
• Canonical SMILES: CCCC1COCCN1C(=O)CCn1cnc2c(c1=O)cccc2
• InChI: InChI=1S/C18H23N3O3/c1-2-5-14-12-24-11-10-21(14)17(22)8-9-20-13-19-16-7-4-3-6-15(16)18(20)23/h3-4,6-7,13-14H,2,5,8-12H2,1H3
• InChIKey: UFZTVFINPPLLCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[3-oxo-3-(3-propylmorpholin-4-yl)propyl]-3,4-dihydroquinazolin-4-one
• IUPAC Traditional name: 3-[3-oxo-3-(3-propylmorpholin-4-yl)propyl]quinazolin-4-one
• Synonyms: 3-[3-oxo-3-(3-propylmorpholin-4-yl)propyl]quinazolin-4(3H)-one

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 2.01
• LOG S: -3.32
• Polar Surface Area: 64.43 Å^2
• Rotatable Bonds: 5
• H Acceptors: 4
• H Donor: 0

JChem

• Molar Refractivity: 92.814 cm^3
• Polarizability: 34.58825 Å^3
• Polar Surface Area: 62.21 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4665843
• LogD (pH = 7.4): 1.4689587
• Log P: 1.468989