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

• ChemBase ID: 227487
• Molecular Formular: C23H24N4O4
• Molecular Mass: 420.46106
• Monoisotopic Mass: 420.17975527
• SMILES: c1(=O)c2c(nc(n1CCNC(=O)Cc1c[nH]c3c1cccc3)C)cc(c(c2)OC)OC
• Canonical SMILES: COc1cc2c(cc1OC)nc(n(c2=O)CCNC(=O)Cc1c[nH]c2c1cccc2)C
• InChI: InChI=1S/C23H24N4O4/c1-14-26-19-12-21(31-3)20(30-2)11-17(19)23(29)27(14)9-8-24-22(28)10-15-13-25-18-7-5-4-6-16(15)18/h4-7,11-13,25H,8-10H2,1-3H3,(H,24,28)
• InChIKey: LZSWDMKATSVRRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164283397
• PubChem CID: 71754618

CALCULATED PROPERTIES

• Acid pKa: 14.995906
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.6353232
• LogD (pH = 7.4): 1.6367208
• Log P: 1.6367387
• Molar Refractivity: 118.415 cm^3
• Polarizability: 45.225525 Å^3
• Polar Surface Area: 96.02 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds