ethyl 4-chloro-7-(trifluoromethyl)imidazo[1,5-a]quinoxaline-3-carboxylate

C14H9ClF3N3O2 — CID 54209491

IUPACethyl 4-chloro-7-(trifluoromethyl)imidazo[1,5-a]quinoxaline-3-carboxylate
SMILESCCOC(=O)c1ncn2c1c(Cl)nc1cc(C(F)(F)F)ccc12
InChIInChI=1S/C14H9ClF3N3O2/c1-2-23-13(22)10-11-12(15)20-8-5-7(14(16,17)18)3-4-9(8)21(11)6-19-10/h3-6H,2H2,1H3
InChIKeyPUXSTWXYBSRRJS-UHFFFAOYSA-N
MW343.69 g/mol
LogP3.73
Rot. Bonds2

About ethyl 4-chloro-7-(trifluoromethyl)imidazo[1,5-a]quinoxaline-3-carboxylate

ethyl 4-chloro-7-(trifluoromethyl)imidazo[1,5-a]quinoxaline-3-carboxylate (PubChem CID 54209491) has the molecular formula C14H9ClF3N3O2 and a molecular weight of 343.69 g/mol. Its IUPAC name is ethyl 4-chloro-7-(trifluoromethyl)imidazo[1,5-a]quinoxaline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-7-(trifluoromethyl)imidazo[1,5-a]quinoxaline-3-carboxylate
PubChem CID54209491
Molecular FormulaC14H9ClF3N3O2
Molecular Weight343.69 g/mol
Exact Mass343.03
IUPAC Nameethyl 4-chloro-7-(trifluoromethyl)imidazo[1,5-a]quinoxaline-3-carboxylate
SMILESCCOC(=O)c1ncn2c1c(Cl)nc1cc(C(F)(F)F)ccc12
InChIInChI=1S/C14H9ClF3N3O2/c1-2-23-13(22)10-11-12(15)20-8-5-7(14(16,17)18)3-4-9(8)21(11)6-19-10/h3-6H,2H2,1H3
InChIKeyPUXSTWXYBSRRJS-UHFFFAOYSA-N
XLogP3.73
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.69
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-7-(trifluoromethyl)imidazo[1,5-a]quinoxaline-3-carboxylate?
The IUPAC name of ethyl 4-chloro-7-(trifluoromethyl)imidazo[1,5-a]quinoxaline-3-carboxylate (CID 54209491) is ethyl 4-chloro-7-(trifluoromethyl)imidazo[1,5-a]quinoxaline-3-carboxylate.
What is the SMILES notation for ethyl 4-chloro-7-(trifluoromethyl)imidazo[1,5-a]quinoxaline-3-carboxylate?
The canonical SMILES for ethyl 4-chloro-7-(trifluoromethyl)imidazo[1,5-a]quinoxaline-3-carboxylate is CCOC(=O)c1ncn2c1c(Cl)nc1cc(C(F)(F)F)ccc12.
What is the InChIKey of ethyl 4-chloro-7-(trifluoromethyl)imidazo[1,5-a]quinoxaline-3-carboxylate?
The InChIKey is PUXSTWXYBSRRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N3O2/c1-2-23-13(22)10-11-12(15)20-8-5-7(14(16,17)18)3-4-9(8)21(11)6-19-10/h3-6H,2H2,1H3.
What are the key properties of ethyl 4-chloro-7-(trifluoromethyl)imidazo[1,5-a]quinoxaline-3-carboxylate?
ethyl 4-chloro-7-(trifluoromethyl)imidazo[1,5-a]quinoxaline-3-carboxylate has a molecular weight of 343.69 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-7-(trifluoromethyl)imidazo[1,5-a]quinoxaline-3-carboxylate is sourced from PubChem (CID 54209491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).