N-[2-(5-methoxy-1H-indol-1-yl)ethyl]-2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetamide

• ChemBase ID: 225298
• Molecular Formular: C21H20N4O3
• Molecular Mass: 376.4085
• Monoisotopic Mass: 376.15354052
• SMILES: n1(c(=O)c2c(nc1)cccc2)CC(=O)NCCn1c2c(cc1)cc(cc2)OC
• Canonical SMILES: COc1ccc2c(c1)ccn2CCNC(=O)Cn1cnc2c(c1=O)cccc2
• InChI: InChI=1S/C21H20N4O3/c1-28-16-6-7-19-15(12-16)8-10-24(19)11-9-22-20(26)13-25-14-23-18-5-3-2-4-17(18)21(25)27/h2-8,10,12,14H,9,11,13H2,1H3,(H,22,26)
• InChIKey: LTFCXAMUCFFTEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-methoxy-1H-indol-1-yl)ethyl]-2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetamide
• IUPAC Traditional name: N-[2-(5-methoxyindol-1-yl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide

Database IDs

• PubChem SID: 164281208
• PubChem CID: 56763512

CALCULATED PROPERTIES

• Acid pKa: 14.99095
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.8084849
• LogD (pH = 7.4): 1.809608
• Log P: 1.8096223
• Molar Refractivity: 107.135 cm^3
• Polarizability: 40.863842 Å^3
• Polar Surface Area: 75.93 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds