ethyl 3-(thiophene-2-carbonyl)-2-(trifluoromethyl)quinoxaline-6-carboxylate

C17H11F3N2O3S — CID 155811174

IUPACethyl 3-(thiophene-2-carbonyl)-2-(trifluoromethyl)quinoxaline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(C(F)(F)F)c(C(=O)c3cccs3)nc2c1
InChIInChI=1S/C17H11F3N2O3S/c1-2-25-16(24)9-5-6-10-11(8-9)21-13(15(22-10)17(18,19)20)14(23)12-4-3-7-26-12/h3-8H,2H2,1H3
InChIKeyFSALPNKZKHWPJA-UHFFFAOYSA-N
MW380.35 g/mol
LogP4.12
Rot. Bonds4

About ethyl 3-(thiophene-2-carbonyl)-2-(trifluoromethyl)quinoxaline-6-carboxylate

ethyl 3-(thiophene-2-carbonyl)-2-(trifluoromethyl)quinoxaline-6-carboxylate (PubChem CID 155811174) has the molecular formula C17H11F3N2O3S and a molecular weight of 380.35 g/mol. Its IUPAC name is ethyl 3-(thiophene-2-carbonyl)-2-(trifluoromethyl)quinoxaline-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-(thiophene-2-carbonyl)-2-(trifluoromethyl)quinoxaline-6-carboxylate
PubChem CID155811174
Molecular FormulaC17H11F3N2O3S
Molecular Weight380.35 g/mol
Exact Mass380.04
IUPAC Nameethyl 3-(thiophene-2-carbonyl)-2-(trifluoromethyl)quinoxaline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(C(F)(F)F)c(C(=O)c3cccs3)nc2c1
InChIInChI=1S/C17H11F3N2O3S/c1-2-25-16(24)9-5-6-10-11(8-9)21-13(15(22-10)17(18,19)20)14(23)12-4-3-7-26-12/h3-8H,2H2,1H3
InChIKeyFSALPNKZKHWPJA-UHFFFAOYSA-N
XLogP4.12
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(thiophene-2-carbonyl)-2-(trifluoromethyl)quinoxaline-6-carboxylate?
The IUPAC name of ethyl 3-(thiophene-2-carbonyl)-2-(trifluoromethyl)quinoxaline-6-carboxylate (CID 155811174) is ethyl 3-(thiophene-2-carbonyl)-2-(trifluoromethyl)quinoxaline-6-carboxylate.
What is the SMILES notation for ethyl 3-(thiophene-2-carbonyl)-2-(trifluoromethyl)quinoxaline-6-carboxylate?
The canonical SMILES for ethyl 3-(thiophene-2-carbonyl)-2-(trifluoromethyl)quinoxaline-6-carboxylate is CCOC(=O)c1ccc2nc(C(F)(F)F)c(C(=O)c3cccs3)nc2c1.
What is the InChIKey of ethyl 3-(thiophene-2-carbonyl)-2-(trifluoromethyl)quinoxaline-6-carboxylate?
The InChIKey is FSALPNKZKHWPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O3S/c1-2-25-16(24)9-5-6-10-11(8-9)21-13(15(22-10)17(18,19)20)14(23)12-4-3-7-26-12/h3-8H,2H2,1H3.
What are the key properties of ethyl 3-(thiophene-2-carbonyl)-2-(trifluoromethyl)quinoxaline-6-carboxylate?
ethyl 3-(thiophene-2-carbonyl)-2-(trifluoromethyl)quinoxaline-6-carboxylate has a molecular weight of 380.35 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(thiophene-2-carbonyl)-2-(trifluoromethyl)quinoxaline-6-carboxylate is sourced from PubChem (CID 155811174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).