3-[[1-bromo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;ethynyl(trimethyl)silane;3-[[7-(trifluoromethyl)-1-(2-trimethylsilylethynyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol

C38H43BrF6N8O2Si2 — CID 159005211

About 3-[[1-bromo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;ethynyl(trimethyl)silane;3-[[7-(trifluoromethyl)-1-(2-trimethylsilylethynyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol

3-[[1-bromo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;ethynyl(trimethyl)silane;3-[[7-(trifluoromethyl)-1-(2-trimethylsilylethynyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol (PubChem CID 159005211) has the molecular formula C38H43BrF6N8O2Si2 and a molecular weight of 893.88 g/mol. Its IUPAC name is 3-[[1-bromo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;ethynyl(trimethyl)silane;3-[[7-(trifluoromethyl)-1-(2-trimethylsilylethynyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol.

Molecular Properties

• Compound Name: 3-[[1-bromo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;ethynyl(trimethyl)silane;3-[[7-(trifluoromethyl)-1-(2-trimethylsilylethynyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
• PubChem CID: 159005211
• Molecular Formula: C38H43BrF6N8O2Si2
• Molecular Weight: 893.88 g/mol
• Exact Mass: 892.21
• IUPAC Name: 3-[[1-bromo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;ethynyl(trimethyl)silane;3-[[7-(trifluoromethyl)-1-(2-trimethylsilylethynyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
• SMILES: C#C[Si](C)(C)C.C[Si](C)(C)C#Cc1cnc2c(NCCCO)nc3cc(C(F)(F)F)ccc3n12.OCCCNc1nc2cc(C(F)(F)F)ccc2n2c(Br)cnc12
• InChI: InChI=1S/C19H21F3N4OSi.C14H12BrF3N4O.C5H10Si/c1-28(2,3)10-7-14-12-24-18-17(23-8-4-9-27)25-15-11-13(19(20,21)22)5-6-16(15)26(14)18;15-11-7-20-13-12(19-4-1-5-23)21-9-6-8(14(16,17)18)2-3-10(9)22(11)13;1-5-6(2,3)4/h5-6,11-12,27H,4,8-9H2,1-3H3,(H,23,25);2-3,6-7,23H,1,4-5H2,(H,19,21);1H,2-4H3
• InChIKey: JRVIYYHUDVIZPH-UHFFFAOYSA-N
• XLogP: 8.88
• TPSA: 124.90 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	893.88
LogP ≤ 5	8.88
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[1-bromo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;ethynyl(trimethyl)silane;3-[[7-(trifluoromethyl)-1-(2-trimethylsilylethynyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?

The IUPAC name of 3-[[1-bromo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;ethynyl(trimethyl)silane;3-[[7-(trifluoromethyl)-1-(2-trimethylsilylethynyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol (CID 159005211) is 3-[[1-bromo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;ethynyl(trimethyl)silane;3-[[7-(trifluoromethyl)-1-(2-trimethylsilylethynyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol.

What is the SMILES notation for 3-[[1-bromo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;ethynyl(trimethyl)silane;3-[[7-(trifluoromethyl)-1-(2-trimethylsilylethynyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?

The canonical SMILES for 3-[[1-bromo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;ethynyl(trimethyl)silane;3-[[7-(trifluoromethyl)-1-(2-trimethylsilylethynyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol is C#C[Si](C)(C)C.C[Si](C)(C)C#Cc1cnc2c(NCCCO)nc3cc(C(F)(F)F)ccc3n12.OCCCNc1nc2cc(C(F)(F)F)ccc2n2c(Br)cnc12.

What is the InChIKey of 3-[[1-bromo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;ethynyl(trimethyl)silane;3-[[7-(trifluoromethyl)-1-(2-trimethylsilylethynyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?

The InChIKey is JRVIYYHUDVIZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4OSi.C14H12BrF3N4O.C5H10Si/c1-28(2,3)10-7-14-12-24-18-17(23-8-4-9-27)25-15-11-13(19(20,21)22)5-6-16(15)26(14)18;15-11-7-20-13-12(19-4-1-5-23)21-9-6-8(14(16,17)18)2-3-10(9)22(11)13;1-5-6(2,3)4/h5-6,11-12,27H,4,8-9H2,1-3H3,(H,23,25);2-3,6-7,23H,1,4-5H2,(H,19,21);1H,2-4H3.

What are the key properties of 3-[[1-bromo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;ethynyl(trimethyl)silane;3-[[7-(trifluoromethyl)-1-(2-trimethylsilylethynyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?

3-[[1-bromo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;ethynyl(trimethyl)silane;3-[[7-(trifluoromethyl)-1-(2-trimethylsilylethynyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol has a molecular weight of 893.88 g/mol, XLogP of 8.88, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[1-bromo-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;ethynyl(trimethyl)silane;3-[[7-(trifluoromethyl)-1-(2-trimethylsilylethynyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 159005211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).