2-(2-hydroxyphenyl)-3,4-dihydroquinazolin-4-one

• ChemBase ID: 182219
• Molecular Formular: C14H10N2O2
• Molecular Mass: 238.2414
• Monoisotopic Mass: 238.07422757
• SMILES: c1([nH]c(=O)c2c(n1)cccc2)c1c(O)cccc1
• Canonical SMILES: Oc1ccccc1c1nc2ccccc2c(=O)[nH]1
• InChI: InChI=1S/C14H10N2O2/c17-12-8-4-2-6-10(12)13-15-11-7-3-1-5-9(11)14(18)16-13/h1-8,17H,(H,15,16,18)
• InChIKey: OVVWPYNVWLHEGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-hydroxyphenyl)-3,4-dihydroquinazolin-4-one
• IUPAC Traditional name: 2-(2-hydroxyphenyl)-3H-quinazolin-4-one

Database IDs

• PubChem SID: 164238129
• PubChem CID: 5332861

CALCULATED PROPERTIES

• Acid pKa: 8.690133
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.3236306
• LogD (pH = 7.4): 2.302486
• Log P: 2.3240497
• Molar Refractivity: 70.0413 cm^3
• Polarizability: 25.164833 Å^3
• Polar Surface Area: 61.69 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds