1-(6-fluoro-4-methylquinazolin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide

• ChemBase ID: 568873
• Molecular Formular: C19H20FN5OS
• Molecular Mass: 385.4584032
• Monoisotopic Mass: 385.13725951
• SMILES: c1(N2C(C(=O)N(Cc3nccs3)C)CCC2)nc(c2c(n1)ccc(c2)F)C
• Canonical SMILES: Fc1ccc2c(c1)c(C)nc(n2)N1CCCC1C(=O)N(Cc1nccs1)C
• InChI: InChI=1S/C19H20FN5OS/c1-12-14-10-13(20)5-6-15(14)23-19(22-12)25-8-3-4-16(25)18(26)24(2)11-17-21-7-9-27-17/h5-7,9-10,16H,3-4,8,11H2,1-2H3
• InChIKey: CUPDKDQBRHYNNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(6-fluoro-4-methylquinazolin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide
• IUPAC Traditional name: 1-(6-fluoro-4-methylquinazolin-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide
• Synonyms: 1-(6-fluoro-4-methyl-2-quinazolinyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)prolinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.986977
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.6741107
• LogD (pH = 7.4): 2.6784873
• Log P: 2.6785436
• Molar Refractivity: 102.1175 cm^3
• Polarizability: 39.368702 Å^3
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.58
• LOG S: -4.89
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 4