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

• ChemBase ID: 225834
• Molecular Formular: C21H20N4O3
• Molecular Mass: 376.4085
• Monoisotopic Mass: 376.15354052
• SMILES: n1(c(=O)c2c(nc1)cccc2)CC(=O)NCCn1c2c(cc1)c(OC)ccc2
• Canonical SMILES: COc1cccc2c1ccn2CCNC(=O)Cn1cnc2c(c1=O)cccc2
• InChI: InChI=1S/C21H20N4O3/c1-28-19-8-4-7-18-16(19)9-11-24(18)12-10-22-20(26)13-25-14-23-17-6-3-2-5-15(17)21(25)27/h2-9,11,14H,10,12-13H2,1H3,(H,22,26)
• InChIKey: KTPFEEYFMHPFRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164281744
• PubChem CID: 71753603

CALCULATED PROPERTIES

• Acid pKa: 15.015397
• 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: 40.86771 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