1-(6-ethoxy-4-methylquinazolin-2-yl)-N-[2-methyl-2-(morpholin-4-yl)propyl]pyrrolidine-2-carboxamide

• ChemBase ID: 313694
• Molecular Formular: C24H35N5O3
• Molecular Mass: 441.5664
• Monoisotopic Mass: 441.27399001
• SMILES: c1(N2C(C(=O)NCC(N3CCOCC3)(C)C)CCC2)nc(c2c(n1)ccc(c2)OCC)C
• Canonical SMILES: CCOc1ccc2c(c1)c(C)nc(n2)N1CCCC1C(=O)NCC(N1CCOCC1)(C)C
• InChI: InChI=1S/C24H35N5O3/c1-5-32-18-8-9-20-19(15-18)17(2)26-23(27-20)29-10-6-7-21(29)22(30)25-16-24(3,4)28-11-13-31-14-12-28/h8-9,15,21H,5-7,10-14,16H2,1-4H3,(H,25,30)
• InChIKey: GYOMTKIJCJRTTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-[2-methyl-2-(morpholin-4-yl)propyl]pyrrolidine-2-carboxamide
• IUPAC Traditional name: 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-[2-methyl-2-(morpholin-4-yl)propyl]pyrrolidine-2-carboxamide
• Synonyms: 1-(6-ethoxy-4-methyl-2-quinazolinyl)-N-[2-methyl-2-(4-morpholinyl)propyl]prolinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.141132
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): 1.3583416
• LogD (pH = 7.4): 2.4837272
• Log P: 2.5521655
• Molar Refractivity: 125.2188 cm^3
• Polarizability: 49.214397 Å^3
• Polar Surface Area: 79.82 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 4.16
• LOG S: -3.38
• Polar Surface Area: 79.82 Å^2
• Rotatable Bonds: 5