N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-(pyridin-2-yl)acetamide

• ChemBase ID: 360122
• Molecular Formular: C17H20N4O
• Molecular Mass: 296.3669
• Monoisotopic Mass: 296.16371128
• SMILES: n1c2c(c(nc1CNC(=O)Cc1ncccc1)C)CCCC2
• Canonical SMILES: O=C(Cc1ccccn1)NCc1nc(C)c2c(n1)CCCC2
• InChI: InChI=1S/C17H20N4O/c1-12-14-7-2-3-8-15(14)21-16(20-12)11-19-17(22)10-13-6-4-5-9-18-13/h4-6,9H,2-3,7-8,10-11H2,1H3,(H,19,22)
• InChIKey: WQJJWJJHCDZGMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-(pyridin-2-yl)acetamide
• IUPAC Traditional name: N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-(pyridin-2-yl)acetamide
• Synonyms: N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-pyridin-2-ylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.856978
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9545307
• LogD (pH = 7.4): 1.9817172
• Log P: 1.982077
• Molar Refractivity: 83.9931 cm^3
• Polarizability: 32.208954 Å^3
• Polar Surface Area: 67.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.16
• LOG S: -1.05
• Polar Surface Area: 67.77 Å^2
• Rotatable Bonds: 4