1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide

• ChemBase ID: 385085
• Molecular Formular: C23H30N6O2
• Molecular Mass: 422.5233
• Monoisotopic Mass: 422.24302423
• SMILES: c1(N2C(C(=O)N(CCc3cn(nc3)C)C)CCC2)nc(c2c(n1)ccc(c2)OCC)C
• Canonical SMILES: CCOc1ccc2c(c1)c(C)nc(n2)N1CCCC1C(=O)N(CCc1cnn(c1)C)C
• InChI: InChI=1S/C23H30N6O2/c1-5-31-18-8-9-20-19(13-18)16(2)25-23(26-20)29-11-6-7-21(29)22(30)27(3)12-10-17-14-24-28(4)15-17/h8-9,13-15,21H,5-7,10-12H2,1-4H3
• InChIKey: RLFHJZOTBUHKOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide
• IUPAC Traditional name: 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide
• Synonyms: 1-(6-ethoxy-4-methyl-2-quinazolinyl)-N-methyl-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]prolinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.05688
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.6840448
• LogD (pH = 7.4): 2.7190745
• Log P: 2.71954
• Molar Refractivity: 132.2359 cm^3
• Polarizability: 46.677773 Å^3
• Polar Surface Area: 76.38 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 3.27
• LOG S: -4.9
• Polar Surface Area: 76.38 Å^2
• Rotatable Bonds: 5