N-[1-(2-methylpropyl)-1H-indol-4-yl]-3-(4-oxo-3,4-dihydroquinazolin-3-yl)propanamide

• ChemBase ID: 226064
• Molecular Formular: C23H24N4O2
• Molecular Mass: 388.46226
• Monoisotopic Mass: 388.18992603
• SMILES: c1(=O)n(cnc2c1cccc2)CCC(=O)Nc1c2c(n(cc2)CC(C)C)ccc1
• Canonical SMILES: CC(Cn1ccc2c1cccc2NC(=O)CCn1cnc2c(c1=O)cccc2)C
• InChI: InChI=1S/C23H24N4O2/c1-16(2)14-26-12-10-17-20(8-5-9-21(17)26)25-22(28)11-13-27-15-24-19-7-4-3-6-18(19)23(27)29/h3-10,12,15-16H,11,13-14H2,1-2H3,(H,25,28)
• InChIKey: RHLGNCSTGUSJBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2-methylpropyl)-1H-indol-4-yl]-3-(4-oxo-3,4-dihydroquinazolin-3-yl)propanamide
• IUPAC Traditional name: N-[1-(2-methylpropyl)indol-4-yl]-3-(4-oxoquinazolin-3-yl)propanamide

Database IDs

• PubChem SID: 164281974
• PubChem CID: 71692044

CALCULATED PROPERTIES

• Acid pKa: 13.209798
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.6620524
• LogD (pH = 7.4): 3.664426
• Log P: 3.664457
• Molar Refractivity: 116.5848 cm^3
• Polarizability: 43.79038 Å^3
• Polar Surface Area: 66.7 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds