5H,11H-isoindolo[2,1-a]quinazolin-5-one

• ChemBase ID: 184640
• Molecular Formular: C15H10N2O
• Molecular Mass: 234.2527
• Monoisotopic Mass: 234.07931295
• SMILES: c12n(c3c(c(=O)n1)cccc3)Cc1c2cccc1
• Canonical SMILES: O=c1nc2c3ccccc3Cn2c2c1cccc2
• InChI: InChI=1S/C15H10N2O/c18-15-12-7-3-4-8-13(12)17-9-10-5-1-2-6-11(10)14(17)16-15/h1-8H,9H2
• InChIKey: XFTFEVDUFOHBTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5H,11H-isoindolo[2,1-a]quinazolin-5-one
• IUPAC Traditional name: 11H-isoindolo[2,1-a]quinazolin-5-one

Database IDs

• PubChem SID: 164240550
• PubChem CID: 928734

CALCULATED PROPERTIES

• Acid pKa: 13.90367
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.268052
• LogD (pH = 7.4): 2.2680523
• Log P: 2.2680523
• Molar Refractivity: 70.4164 cm^3
• Polarizability: 25.879517 Å^3
• Polar Surface Area: 32.67 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds