N-(1-methyl-1H-indol-4-yl)-2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetamide

• ChemBase ID: 224746
• Molecular Formular: C19H16N4O2
• Molecular Mass: 332.35594
• Monoisotopic Mass: 332.12732577
• SMILES: n1(c(=O)c2c(nc1)cccc2)CC(=O)Nc1c2ccn(c2ccc1)C
• Canonical SMILES: O=C(Cn1cnc2c(c1=O)cccc2)Nc1cccc2c1ccn2C
• InChI: InChI=1S/C19H16N4O2/c1-22-10-9-13-16(7-4-8-17(13)22)21-18(24)11-23-12-20-15-6-3-2-5-14(15)19(23)25/h2-10,12H,11H2,1H3,(H,21,24)
• InChIKey: SDNXSGWCVQDRNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-methyl-1H-indol-4-yl)-2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetamide
• IUPAC Traditional name: N-(1-methylindol-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide

Database IDs

• PubChem SID: 164280656
• PubChem CID: 52905268

CALCULATED PROPERTIES

• Acid pKa: 12.089267
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.1820009
• LogD (pH = 7.4): 2.183118
• Log P: 2.1831412
• Molar Refractivity: 98.1412 cm^3
• Polarizability: 36.416553 Å^3
• Polar Surface Area: 66.7 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds