N-[2-(2-ethyl-6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-3-yl)ethyl]-2-(1H-indol-3-yl)acetamide

• ChemBase ID: 227630
• Molecular Formular: C24H26N4O4
• Molecular Mass: 434.48764
• Monoisotopic Mass: 434.19540533
• SMILES: c1(=O)c2c(nc(n1CCNC(=O)Cc1c[nH]c3c1cccc3)CC)cc(c(c2)OC)OC
• Canonical SMILES: CCc1nc2cc(OC)c(cc2c(=O)n1CCNC(=O)Cc1c[nH]c2c1cccc2)OC
• InChI: InChI=1S/C24H26N4O4/c1-4-22-27-19-13-21(32-3)20(31-2)12-17(19)24(30)28(22)10-9-25-23(29)11-15-14-26-18-8-6-5-7-16(15)18/h5-8,12-14,26H,4,9-11H2,1-3H3,(H,25,29)
• InChIKey: XTVYCFQCAGPHST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-ethyl-6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-3-yl)ethyl]-2-(1H-indol-3-yl)acetamide
• IUPAC Traditional name: N-[2-(2-ethyl-6,7-dimethoxy-4-oxoquinazolin-3-yl)ethyl]-2-(1H-indol-3-yl)acetamide

Database IDs

• PubChem SID: 164283540
• PubChem CID: 71754753

CALCULATED PROPERTIES

• Acid pKa: 15.042563
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 2.3354702
• LogD (pH = 7.4): 2.3372517
• Log P: 2.3372746
• Molar Refractivity: 123.0419 cm^3
• Polarizability: 47.06597 Å^3
• Polar Surface Area: 96.02 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds