N-(2-methylpropyl)-3-(4-oxo-3,4-dihydroquinazolin-3-yl)propanamide

• ChemBase ID: 222986
• Molecular Formular: C15H19N3O2
• Molecular Mass: 273.33026
• Monoisotopic Mass: 273.14772686
• SMILES: c1(=O)n(cnc2c1cccc2)CCC(=O)NCC(C)C
• Canonical SMILES: CC(CNC(=O)CCn1cnc2c(c1=O)cccc2)C
• InChI: InChI=1S/C15H19N3O2/c1-11(2)9-16-14(19)7-8-18-10-17-13-6-4-3-5-12(13)15(18)20/h3-6,10-11H,7-9H2,1-2H3,(H,16,19)
• InChIKey: NPYNXFFMNOIDMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methylpropyl)-3-(4-oxo-3,4-dihydroquinazolin-3-yl)propanamide
• IUPAC Traditional name: N-(2-methylpropyl)-3-(4-oxoquinazolin-3-yl)propanamide

Database IDs

• PubChem SID: 164278896
• PubChem CID: 17393171

CALCULATED PROPERTIES

• Acid pKa: 15.3746
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3220459
• LogD (pH = 7.4): 1.3244202
• Log P: 1.3244505
• Molar Refractivity: 79.0432 cm^3
• Polarizability: 29.086922 Å^3
• Polar Surface Area: 61.77 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds