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

• ChemBase ID: 221420
• Molecular Formular: C24H25N5O5
• Molecular Mass: 463.4858
• Monoisotopic Mass: 463.18556893
• SMILES: n1(c(=O)c2c(nc1)cc(c(c2)OC)OC)CC(=O)NCC(=O)NCCc1c[nH]c2c1cccc2
• Canonical SMILES: COc1cc2c(cc1OC)ncn(c2=O)CC(=O)NCC(=O)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C24H25N5O5/c1-33-20-9-17-19(10-21(20)34-2)28-14-29(24(17)32)13-23(31)27-12-22(30)25-8-7-15-11-26-18-6-4-3-5-16(15)18/h3-6,9-11,14,26H,7-8,12-13H2,1-2H3,(H,25,30)(H,27,31)
• InChIKey: CGYPWRQMSOBVHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164277330
• PubChem CID: 29147311

CALCULATED PROPERTIES

• Rotatable Bonds: 9
• Lipinski's Rule of Five: true
• Acid pKa: 12.172365
• H Acceptors: 6
• H Donor: 3
• LogD (pH = 5.5): 0.5338916
• LogD (pH = 7.4): 0.5343922
• Log P: 0.5344052
• Molar Refractivity: 126.7836 cm^3
• Polarizability: 48.297775 Å^3
• Polar Surface Area: 125.12 Å^2

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds