2-(1-ethyl-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)-3,4-dihydroquinazolin-4-one

• ChemBase ID: 180847
• Molecular Formular: C19H15N3O3
• Molecular Mass: 333.3407
• Monoisotopic Mass: 333.11134136
• SMILES: c1(c2[nH]c(=O)c3c(n2)cccc3)c(=O)n(c2c(c1O)cccc2)CC
• Canonical SMILES: CCn1c(=O)c(c2nc3ccccc3c(=O)[nH]2)c(c2c1cccc2)O
• InChI: InChI=1S/C19H15N3O3/c1-2-22-14-10-6-4-8-12(14)16(23)15(19(22)25)17-20-13-9-5-3-7-11(13)18(24)21-17/h3-10,23H,2H2,1H3,(H,20,21,24)
• InChIKey: ZOXBBYFIKXVHNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-ethyl-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)-3,4-dihydroquinazolin-4-one
• IUPAC Traditional name: 2-(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)-3H-quinazolin-4-one

Database IDs

• PubChem SID: 164236757
• PubChem CID: 5338104

CALCULATED PROPERTIES

• Acid pKa: 6.63975
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.6181757
• LogD (pH = 7.4): 0.8148838
• Log P: 1.6484988
• Molar Refractivity: 95.8565 cm^3
• Polarizability: 34.698887 Å^3
• Polar Surface Area: 82.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds