6-fluoro-3-[2-(morpholin-4-yl)ethyl]-3,4-dihydroquinazolin-4-one

• ChemBase ID: 710438
• Molecular Formular: C14H16FN3O2
• Molecular Mass: 277.2941432
• Monoisotopic Mass: 277.12265499
• SMILES: c1(=O)c2c(ncn1CCN1CCOCC1)ccc(c2)F
• Canonical SMILES: Fc1ccc2c(c1)c(=O)n(cn2)CCN1CCOCC1
• InChI: InChI=1S/C14H16FN3O2/c15-11-1-2-13-12(9-11)14(19)18(10-16-13)4-3-17-5-7-20-8-6-17/h1-2,9-10H,3-8H2
• InChIKey: ZZOHQMMZJZIKNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoro-3-[2-(morpholin-4-yl)ethyl]-3,4-dihydroquinazolin-4-one
• IUPAC Traditional name: 6-fluoro-3-[2-(morpholin-4-yl)ethyl]quinazolin-4-one
• Synonyms: 6-fluoro-3-(2-morpholin-4-ylethyl)quinazolin-4(3H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.44665927
• LogD (pH = 7.4): 0.88165736
• Log P: 0.89126384
• Molar Refractivity: 75.1061 cm^3
• Polarizability: 27.241276 Å^3
• Polar Surface Area: 45.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.86
• LOG S: -1.96
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 3