N-[(1-hydroxycyclohexyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidine-4-carboxamide

• ChemBase ID: 488671
• Molecular Formular: C24H34N4O2
• Molecular Mass: 410.55236
• Monoisotopic Mass: 410.26817635
• SMILES: c1(nc2c(c(n1)C)cc(c(c2)C)C)N1CCC(C(=O)NCC2(O)CCCCC2)CC1
• Canonical SMILES: O=C(C1CCN(CC1)c1nc(C)c2c(n1)cc(c(c2)C)C)NCC1(O)CCCCC1
• InChI: InChI=1S/C24H34N4O2/c1-16-13-20-18(3)26-23(27-21(20)14-17(16)2)28-11-7-19(8-12-28)22(29)25-15-24(30)9-5-4-6-10-24/h13-14,19,30H,4-12,15H2,1-3H3,(H,25,29)
• InChIKey: NFLQZSFZAHLIBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-hydroxycyclohexyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidine-4-carboxamide
• IUPAC Traditional name: N-[(1-hydroxycyclohexyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidine-4-carboxamide
• Synonyms: N-[(1-hydroxycyclohexyl)methyl]-1-(4,6,7-trimethyl-2-quinazolinyl)-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.369916
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 3.688355
• LogD (pH = 7.4): 3.8895872
• Log P: 3.8928866
• Molar Refractivity: 120.1459 cm^3
• Polarizability: 46.786522 Å^3
• Polar Surface Area: 78.35 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: 3.91
• LOG S: -6.57
• Polar Surface Area: 78.35 Å^2
• Rotatable Bonds: 4