N-(6-methylheptan-2-yl)-2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetamide

• ChemBase ID: 222254
• Molecular Formular: C18H25N3O2
• Molecular Mass: 315.41
• Monoisotopic Mass: 315.19467706
• SMILES: n1(c(=O)c2c(nc1)cccc2)CC(=O)NC(CCCC(C)C)C
• Canonical SMILES: CC(CCCC(NC(=O)Cn1cnc2c(c1=O)cccc2)C)C
• InChI: InChI=1S/C18H25N3O2/c1-13(2)7-6-8-14(3)20-17(22)11-21-12-19-16-10-5-4-9-15(16)18(21)23/h4-5,9-10,12-14H,6-8,11H2,1-3H3,(H,20,22)
• InChIKey: SQFWHUSQLZROBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(6-methylheptan-2-yl)-2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetamide
• IUPAC Traditional name: N-(6-methylheptan-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide

Database IDs

• PubChem SID: 164278164
• PubChem CID: 24629010

CALCULATED PROPERTIES

• Acid pKa: 15.18538
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.7586277
• LogD (pH = 7.4): 2.7597508
• Log P: 2.7597651
• Molar Refractivity: 92.6426 cm^3
• Polarizability: 34.603924 Å^3
• Polar Surface Area: 61.77 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds