N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetamide

• ChemBase ID: 384309
• Molecular Formular: C21H23N5O2
• Molecular Mass: 377.43962
• Monoisotopic Mass: 377.185175
• SMILES: n1(c(=O)c2c(nc1)cccc2)CC(=O)NCCc1nc2c(c(n1)C)CCCC2
• Canonical SMILES: O=C(Cn1cnc2c(c1=O)cccc2)NCCc1nc(C)c2c(n1)CCCC2
• InChI: InChI=1S/C21H23N5O2/c1-14-15-6-2-5-9-18(15)25-19(24-14)10-11-22-20(27)12-26-13-23-17-8-4-3-7-16(17)21(26)28/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,22,27)
• InChIKey: ZJZJHLXKYPWJML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-2-(4-oxo-3,4-dihydroquinazolin-3-yl)acetamide
• IUPAC Traditional name: N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
• Synonyms: N-[2-(4-methyl-5,6,7,8-tetrahydro-2-quinazolinyl)ethyl]-2-(4-oxo-3(4H)-quinazolinyl)acetamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• LOG S: -3.45
• Polar Surface Area: 89.77 Å^2
• Rotatable Bonds: 5
• H Acceptors: 5
• H Donor: 1
• Log P: 1.75

JChem

• Molar Refractivity: 107.7365 cm^3
• Polarizability: 39.621067 Å^3
• Polar Surface Area: 87.55 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 14.816705
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.7251246
• LogD (pH = 7.4): 1.7265757
• Log P: 1.7265942