10H,12H-isoindolo[1,2-b]quinazoline-10,12-dione

• ChemBase ID: 180998
• Molecular Formular: C15H8N2O2
• Molecular Mass: 248.23622
• Monoisotopic Mass: 248.05857751
• SMILES: n12c(nc3c(c1=O)cccc3)c1c(C2=O)cccc1
• Canonical SMILES: O=C1c2ccccc2c2n1c(=O)c1ccccc1n2
• InChI: InChI=1S/C15H8N2O2/c18-14-10-6-2-1-5-9(10)13-16-12-8-4-3-7-11(12)15(19)17(13)14/h1-8H
• InChIKey: KYRHFTTYGXVIOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164236908
• PubChem CID: 838396

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4971457
• LogD (pH = 7.4): 2.4971519
• Log P: 2.4971519
• Molar Refractivity: 72.2388 cm^3
• Polarizability: 25.528362 Å^3
• Polar Surface Area: 49.74 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds