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

• ChemBase ID: 222936
• Molecular Formular: C14H17N3O2
• Molecular Mass: 259.30368
• Monoisotopic Mass: 259.1320768
• SMILES: n1(c(=O)c2c(nc1)cccc2)CC(=O)NCC(C)C
• Canonical SMILES: CC(CNC(=O)Cn1cnc2c(c1=O)cccc2)C
• InChI: InChI=1S/C14H17N3O2/c1-10(2)7-15-13(18)8-17-9-16-12-6-4-3-5-11(12)14(17)19/h3-6,9-10H,7-8H2,1-2H3,(H,15,18)
• InChIKey: BLRCRWAQNBMOEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164278846
• PubChem CID: 7874886

CALCULATED PROPERTIES

• Acid pKa: 15.032577
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0863004
• LogD (pH = 7.4): 1.0874234
• Log P: 1.0874377
• Molar Refractivity: 74.3438 cm^3
• Polarizability: 27.249672 Å^3
• Polar Surface Area: 61.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds