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

• ChemBase ID: 219515
• Molecular Formular: C19H19N3O2
• Molecular Mass: 321.37306
• Monoisotopic Mass: 321.14772686
• SMILES: C12(NC(=O)c3c(N2)cccc3)C(=O)N(c2c1cccc2)CC(C)C
• Canonical SMILES: CC(CN1c2ccccc2C2(C1=O)NC(=O)c1c(N2)cccc1)C
• InChI: InChI=1S/C19H19N3O2/c1-12(2)11-22-16-10-6-4-8-14(16)19(18(22)24)20-15-9-5-3-7-13(15)17(23)21-19/h3-10,12,20H,11H2,1-2H3,(H,21,23)
• InChIKey: FZYIUFYYRMCJQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164275425
• PubChem CID: 16409418

CALCULATED PROPERTIES

• Acid pKa: 9.64761
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.6352315
• LogD (pH = 7.4): 3.6329625
• Log P: 3.6352606
• Molar Refractivity: 93.0299 cm^3
• Polarizability: 34.67248 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds