N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-1-yl)acetamide

• ChemBase ID: 450849
• Molecular Formular: C22H24N4O2
• Molecular Mass: 376.45156
• Monoisotopic Mass: 376.18992603
• SMILES: N1(C(=O)N(Cc2c1cccc2)C)CC(=O)NCc1cc2c(c([nH]c2cc1)C)C
• Canonical SMILES: O=C(CN1C(=O)N(C)Cc2c1cccc2)NCc1ccc2c(c1)c(C)c([nH]2)C
• InChI: InChI=1S/C22H24N4O2/c1-14-15(2)24-19-9-8-16(10-18(14)19)11-23-21(27)13-26-20-7-5-4-6-17(20)12-25(3)22(26)28/h4-10,24H,11-13H2,1-3H3,(H,23,27)
• InChIKey: YXMGAHQVQDODSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-1-yl)acetamide
• IUPAC Traditional name: N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(3-methyl-2-oxo-4H-quinazolin-1-yl)acetamide
• Synonyms: N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(3-methyl-2-oxo-3,4-dihydroquinazolin-1(2H)-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.077597
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.3709908
• LogD (pH = 7.4): 2.3709908
• Log P: 2.3709908
• Molar Refractivity: 109.7551 cm^3
• Polarizability: 42.506702 Å^3
• Polar Surface Area: 68.44 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.1
• LOG S: -4.59
• Polar Surface Area: 68.44 Å^2
• Rotatable Bonds: 4