N-(2-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)-6-methoxy-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide

• ChemBase ID: 648817
• Molecular Formular: C18H18N4O3S
• Molecular Mass: 370.42552
• Monoisotopic Mass: 370.10996146
• SMILES: c12n(cc(n1)CCNC(=O)C1c3c(NC(=O)C1)ccc(c3)OC)ccs2
• Canonical SMILES: COc1ccc2c(c1)C(CC(=O)N2)C(=O)NCCc1cn2c(n1)scc2
• InChI: InChI=1S/C18H18N4O3S/c1-25-12-2-3-15-13(8-12)14(9-16(23)21-15)17(24)19-5-4-11-10-22-6-7-26-18(22)20-11/h2-3,6-8,10,14H,4-5,9H2,1H3,(H,19,24)(H,21,23)
• InChIKey: BIHIOGPUSAVEPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)-6-methoxy-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide
• IUPAC Traditional name: N-(2-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
• Synonyms: N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-6-methoxy-2-oxo-1,2,3,4-tetrahydro-4-quinolinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.14245
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.8420976
• LogD (pH = 7.4): 0.8611397
• Log P: 0.8613882
• Molar Refractivity: 109.8521 cm^3
• Polarizability: 36.866547 Å^3
• Polar Surface Area: 84.73 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.9
• LOG S: -3.52
• Polar Surface Area: 84.73 Å^2
• Rotatable Bonds: 5