10H,12H-isoindolo[1,2-b]quinazolin-10-one

• ChemBase ID: 191762
• Molecular Formular: C15H10N2O
• Molecular Mass: 234.2527
• Monoisotopic Mass: 234.07931295
• SMILES: n12c(nc3c(c1=O)cccc3)c1c(C2)cccc1
• Canonical SMILES: O=c1c2ccccc2nc2n1Cc1c2cccc1
• InChI: InChI=1S/C15H10N2O/c18-15-12-7-3-4-8-13(12)16-14-11-6-2-1-5-10(11)9-17(14)15/h1-8H,9H2
• InChIKey: LNLUVPQAOVPJBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10H,12H-isoindolo[1,2-b]quinazolin-10-one
• IUPAC Traditional name: 12H-isoindolo[1,2-b]quinazolin-10-one

Database IDs

• PubChem SID: 164247672
• PubChem CID: 905951

CALCULATED PROPERTIES

• Acid pKa: 14.519347
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6018934
• LogD (pH = 7.4): 2.6025105
• Log P: 2.6025183
• Molar Refractivity: 71.5117 cm^3
• Polarizability: 25.66676 Å^3
• Polar Surface Area: 32.67 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds