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

• ChemBase ID: 218882
• Molecular Formular: C17H15N3O2
• Molecular Mass: 293.3199
• Monoisotopic Mass: 293.11642674
• SMILES: C12(NC(=O)c3c(N2)cccc3)C(=O)N(c2c1cccc2)CC
• Canonical SMILES: CCN1c2ccccc2C2(C1=O)NC(=O)c1c(N2)cccc1
• InChI: InChI=1S/C17H15N3O2/c1-2-20-14-10-6-4-8-12(14)17(16(20)22)18-13-9-5-3-7-11(13)15(21)19-17/h3-10,18H,2H2,1H3,(H,19,21)
• InChIKey: SFDWNVXUEIVBDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164274792
• PubChem CID: 16408824

CALCULATED PROPERTIES

• Acid pKa: 9.62046
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.7477345
• LogD (pH = 7.4): 2.745327
• Log P: 2.7477653
• Molar Refractivity: 84.0343 cm^3
• Polarizability: 30.993156 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds