(3E)-3-[1-[4-[(6-Methoxyquinolin-8-Yl)Amino]Pentylamino]Ethylidene]Oxolan-2-One
[CAS# 79781-00-3]

Identification

• Name: (3E)-3-[1-[4-[(6-Methoxyquinolin-8-Yl)Amino]Pentylamino]Ethylidene]Oxolan-2-One
• Synonyms: (3E)-3-[1-[4-[(6-Methoxy-8-Quinolyl)Amino]Pentylamino]Ethylidene]Tetrahydrofuran-2-One; (3E)-3-[1-[4-[(6-Methoxy-8-Quinolyl)Amino]Pentylamino]Ethylidene]-2-Tetrahydrofuranone; Bulaquine
• Molecular Formula: C₂₁H₂₇N₃O₃
• Molecular Weight: 369.46
• CAS Registry Number: 79781-00-3 (223661-25-4)
• SMILES: C3=NC2=C(NC(CCCNC(=C/1C(OCC1)=O)\C)C)C=C(C=C2C=C3)OC
• InChI: 1S/C21H27N3O3/c1-14(6-4-9-22-15(2)18-8-11-27-21(18)25)24-19-13-17(26-3)12-16-7-5-10-23-20(16)19/h5,7,10,12-14,22,24H,4,6,8-9,11H2,1-3H3/b18-15+
• InChIKey: ADCOUXIGWFEYJP-OBGWFSINSA-N

Properties

• Density: 1.197g/cm³ (Cal.)
• Boiling point: 616.721°C at 760 mmHg (Cal.)
• Flash point: 326.781°C (Cal.)