3-[[8-ethenyl-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol

C16H15F3N4O — CID 59333308

IUPAC3-[[8-ethenyl-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
SMILESC=Cc1cc2c(cc1C(F)(F)F)nc(NCCCO)c1nccn12
InChIInChI=1S/C16H15F3N4O/c1-2-10-8-13-12(9-11(10)16(17,18)19)22-14(20-4-3-7-24)15-21-5-6-23(13)15/h2,5-6,8-9,24H,1,3-4,7H2,(H,20,22)
InChIKeyISOMFYOGHFMADL-UHFFFAOYSA-N
MW336.32 g/mol
LogP3.34
Rot. Bonds5

About 3-[[8-ethenyl-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol

3-[[8-ethenyl-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol (PubChem CID 59333308) has the molecular formula C16H15F3N4O and a molecular weight of 336.32 g/mol. Its IUPAC name is 3-[[8-ethenyl-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[8-ethenyl-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
PubChem CID59333308
Molecular FormulaC16H15F3N4O
Molecular Weight336.32 g/mol
Exact Mass336.12
IUPAC Name3-[[8-ethenyl-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
SMILESC=Cc1cc2c(cc1C(F)(F)F)nc(NCCCO)c1nccn12
InChIInChI=1S/C16H15F3N4O/c1-2-10-8-13-12(9-11(10)16(17,18)19)22-14(20-4-3-7-24)15-21-5-6-23(13)15/h2,5-6,8-9,24H,1,3-4,7H2,(H,20,22)
InChIKeyISOMFYOGHFMADL-UHFFFAOYSA-N
XLogP3.34
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[[8-ethenyl-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[8-ethenyl-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?
The IUPAC name of 3-[[8-ethenyl-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol (CID 59333308) is 3-[[8-ethenyl-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[8-ethenyl-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[8-ethenyl-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol is C=Cc1cc2c(cc1C(F)(F)F)nc(NCCCO)c1nccn12.
What is the InChIKey of 3-[[8-ethenyl-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?
The InChIKey is ISOMFYOGHFMADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O/c1-2-10-8-13-12(9-11(10)16(17,18)19)22-14(20-4-3-7-24)15-21-5-6-23(13)15/h2,5-6,8-9,24H,1,3-4,7H2,(H,20,22).
What are the key properties of 3-[[8-ethenyl-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?
3-[[8-ethenyl-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol has a molecular weight of 336.32 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[8-ethenyl-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 59333308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).