4,6-dimethyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 367071
• Molecular Formular: C19H24N4O2
• Molecular Mass: 340.41946
• Monoisotopic Mass: 340.18992603
• SMILES: c1(c(=O)[nH]c(cc1C)C)C(=O)NCCc1nc2c(c(n1)C)CCCC2
• Canonical SMILES: Cc1cc(C)c(c(=O)[nH]1)C(=O)NCCc1nc(C)c2c(n1)CCCC2
• InChI: InChI=1S/C19H24N4O2/c1-11-10-12(2)21-19(25)17(11)18(24)20-9-8-16-22-13(3)14-6-4-5-7-15(14)23-16/h10H,4-9H2,1-3H3,(H,20,24)(H,21,25)
• InChIKey: GEIMXAYYMYQKGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dimethyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: 4,6-dimethyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
• Synonyms: 4,6-dimethyl-N-[2-(4-methyl-5,6,7,8-tetrahydro-2-quinazolinyl)ethyl]-2-oxo-1,2-dihydro-3-pyridinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.034903
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.5295551
• LogD (pH = 7.4): 1.5298029
• Log P: 1.5298992
• Molar Refractivity: 98.0765 cm^3
• Polarizability: 36.41309 Å^3
• Polar Surface Area: 83.98 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.61
• LOG S: -3.06
• Polar Surface Area: 87.74 Å^2
• Rotatable Bonds: 4