7,8-dimethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)-3,4-dihydroquinazolin-4-one

• ChemBase ID: 651899
• Molecular Formular: C19H27N3O
• Molecular Mass: 313.43718
• Monoisotopic Mass: 313.2154125
• SMILES: n1(c(=O)c2c(nc1)c(c(cc2)C)C)C1CC(NC(C1)(C)C)(C)C
• Canonical SMILES: Cc1ccc2c(c1C)ncn(c2=O)C1CC(C)(C)NC(C1)(C)C
• InChI: InChI=1S/C19H27N3O/c1-12-7-8-15-16(13(12)2)20-11-22(17(15)23)14-9-18(3,4)21-19(5,6)10-14/h7-8,11,14,21H,9-10H2,1-6H3
• InChIKey: UGQODMJDCKWEAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,8-dimethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)-3,4-dihydroquinazolin-4-one
• IUPAC Traditional name: 7,8-dimethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)quinazolin-4-one
• Synonyms: 7,8-dimethyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)quinazolin-4(3H)-one

CALCULATED PROPERTIES

JChem

• Molar Refractivity: 96.1489 cm^3
• Polarizability: 35.883667 Å^3
• Polar Surface Area: 44.7 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.22010927
• LogD (pH = 7.4): 0.21871237
• Log P: 3.013322

供应商提供(Chembridge)

• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 1
• H Acceptors: 3
• H Donor: 1
• Log P: 3.16
• LOG S: -4.18