2-(morpholin-4-yl)-5,6,7,8-tetrahydroquinazolin-5-one

• ChemBase ID: 807595
• Molecular Formular: C12H15N3O2
• Molecular Mass: 233.2664
• Monoisotopic Mass: 233.11642674
• SMILES: C1CCc2nc(ncc2C1=O)N1CCOCC1
• Canonical SMILES: O=C1CCCc2c1cnc(n2)N1CCOCC1
• InChI: InChI=1S/C12H15N3O2/c16-11-3-1-2-10-9(11)8-13-12(14-10)15-4-6-17-7-5-15/h8H,1-7H2
• InChIKey: YACLGCVCNKBTBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)-5,6,7,8-tetrahydroquinazolin-5-one
• IUPAC Traditional name: 2-(morpholin-4-yl)-7,8-dihydro-6H-quinazolin-5-one
• Synonyms: 2-(MORPHOLIN-4-YL)-5,6,7,8-TETRAHYDROQUINAZOLIN-5-ONE

CALCULATED PROPERTIES

• Acid pKa: 15.955362
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.79980963
• LogD (pH = 7.4): 0.79985905
• Log P: 0.7998597
• Molar Refractivity: 64.0163 cm^3
• Polarizability: 23.733019 Å^3
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%