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

C19H21F3N4OSi — CID 59333319

IUPAC3-[[7-(trifluoromethyl)-1-(2-trimethylsilylethynyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
SMILESC[Si](C)(C)C#Cc1cnc2c(NCCCO)nc3cc(C(F)(F)F)ccc3n12
InChIInChI=1S/C19H21F3N4OSi/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/h5-6,11-12,27H,4,8-9H2,1-3H3,(H,23,25)
InChIKeyZKGJTXMPUOYAAF-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.92
Rot. Bonds4

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

3-[[7-(trifluoromethyl)-1-(2-trimethylsilylethynyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol (PubChem CID 59333319) has the molecular formula C19H21F3N4OSi and a molecular weight of 406.48 g/mol. Its IUPAC name is 3-[[7-(trifluoromethyl)-1-(2-trimethylsilylethynyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[7-(trifluoromethyl)-1-(2-trimethylsilylethynyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
PubChem CID59333319
Molecular FormulaC19H21F3N4OSi
Molecular Weight406.48 g/mol
Exact Mass406.14
IUPAC Name3-[[7-(trifluoromethyl)-1-(2-trimethylsilylethynyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
SMILESC[Si](C)(C)C#Cc1cnc2c(NCCCO)nc3cc(C(F)(F)F)ccc3n12
InChIInChI=1S/C19H21F3N4OSi/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/h5-6,11-12,27H,4,8-9H2,1-3H3,(H,23,25)
InChIKeyZKGJTXMPUOYAAF-UHFFFAOYSA-N
XLogP3.92
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[7-(trifluoromethyl)-1-(2-trimethylsilylethynyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?
The IUPAC name of 3-[[7-(trifluoromethyl)-1-(2-trimethylsilylethynyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol (CID 59333319) is 3-[[7-(trifluoromethyl)-1-(2-trimethylsilylethynyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[7-(trifluoromethyl)-1-(2-trimethylsilylethynyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[7-(trifluoromethyl)-1-(2-trimethylsilylethynyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol is C[Si](C)(C)C#Cc1cnc2c(NCCCO)nc3cc(C(F)(F)F)ccc3n12.
What is the InChIKey of 3-[[7-(trifluoromethyl)-1-(2-trimethylsilylethynyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?
The InChIKey is ZKGJTXMPUOYAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4OSi/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/h5-6,11-12,27H,4,8-9H2,1-3H3,(H,23,25).
What are the key properties of 3-[[7-(trifluoromethyl)-1-(2-trimethylsilylethynyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?
3-[[7-(trifluoromethyl)-1-(2-trimethylsilylethynyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol has a molecular weight of 406.48 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-(trifluoromethyl)-1-(2-trimethylsilylethynyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 59333319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).