1,2,3',4'-tetrahydro-1'H-spiro[indole-3,2'-quinazoline]-2,4'-dione

• ChemBase ID: 216461
• Molecular Formular: C15H11N3O2
• Molecular Mass: 265.26674
• Monoisotopic Mass: 265.08512661
• SMILES: C12(NC(=O)c3c(N1)cccc3)C(=O)Nc1c2cccc1
• Canonical SMILES: O=C1NC2(Nc3c1cccc3)C(=O)Nc1c2cccc1
• InChI: InChI=1S/C15H11N3O2/c19-13-9-5-1-3-7-11(9)17-15(18-13)10-6-2-4-8-12(10)16-14(15)20/h1-8,17H,(H,16,20)(H,18,19)
• InChIKey: BMSQIJFIMYFICP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3',4'-tetrahydro-1'H-spiro[indole-3,2'-quinazoline]-2,4'-dione
• IUPAC Traditional name: 1',3'-dihydro-1H-spiro[indole-3,2'-quinazoline]-2,4'-dione

Database IDs

• PubChem SID: 164272371
• PubChem CID: 2922157

CALCULATED PROPERTIES

• Acid pKa: 9.582095
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 2.5268579
• LogD (pH = 7.4): 2.5242398
• Log P: 2.5268912
• Molar Refractivity: 76.1698 cm^3
• Polarizability: 27.318125 Å^3
• Polar Surface Area: 70.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds