ethyl 4-chloro-1-methyl-7-(trifluoromethyl)imidazo[1,2-a]quinoxaline-2-carboxylate

C15H11ClF3N3O2 — CID 18928110

IUPACethyl 4-chloro-1-methyl-7-(trifluoromethyl)imidazo[1,2-a]quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2c(Cl)nc3cc(C(F)(F)F)ccc3n2c1C
InChIInChI=1S/C15H11ClF3N3O2/c1-3-24-14(23)11-7(2)22-10-5-4-8(15(17,18)19)6-9(10)20-12(16)13(22)21-11/h4-6H,3H2,1-2H3
InChIKeyYUCHQMYUJFOXCZ-UHFFFAOYSA-N
MW357.72 g/mol
LogP4.04
Rot. Bonds2

About ethyl 4-chloro-1-methyl-7-(trifluoromethyl)imidazo[1,2-a]quinoxaline-2-carboxylate

ethyl 4-chloro-1-methyl-7-(trifluoromethyl)imidazo[1,2-a]quinoxaline-2-carboxylate (PubChem CID 18928110) has the molecular formula C15H11ClF3N3O2 and a molecular weight of 357.72 g/mol. Its IUPAC name is ethyl 4-chloro-1-methyl-7-(trifluoromethyl)imidazo[1,2-a]quinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-1-methyl-7-(trifluoromethyl)imidazo[1,2-a]quinoxaline-2-carboxylate
PubChem CID18928110
Molecular FormulaC15H11ClF3N3O2
Molecular Weight357.72 g/mol
Exact Mass357.05
IUPAC Nameethyl 4-chloro-1-methyl-7-(trifluoromethyl)imidazo[1,2-a]quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2c(Cl)nc3cc(C(F)(F)F)ccc3n2c1C
InChIInChI=1S/C15H11ClF3N3O2/c1-3-24-14(23)11-7(2)22-10-5-4-8(15(17,18)19)6-9(10)20-12(16)13(22)21-11/h4-6H,3H2,1-2H3
InChIKeyYUCHQMYUJFOXCZ-UHFFFAOYSA-N
XLogP4.04
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.72
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-1-methyl-7-(trifluoromethyl)imidazo[1,2-a]quinoxaline-2-carboxylate?
The IUPAC name of ethyl 4-chloro-1-methyl-7-(trifluoromethyl)imidazo[1,2-a]quinoxaline-2-carboxylate (CID 18928110) is ethyl 4-chloro-1-methyl-7-(trifluoromethyl)imidazo[1,2-a]quinoxaline-2-carboxylate.
What is the SMILES notation for ethyl 4-chloro-1-methyl-7-(trifluoromethyl)imidazo[1,2-a]quinoxaline-2-carboxylate?
The canonical SMILES for ethyl 4-chloro-1-methyl-7-(trifluoromethyl)imidazo[1,2-a]quinoxaline-2-carboxylate is CCOC(=O)c1nc2c(Cl)nc3cc(C(F)(F)F)ccc3n2c1C.
What is the InChIKey of ethyl 4-chloro-1-methyl-7-(trifluoromethyl)imidazo[1,2-a]quinoxaline-2-carboxylate?
The InChIKey is YUCHQMYUJFOXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N3O2/c1-3-24-14(23)11-7(2)22-10-5-4-8(15(17,18)19)6-9(10)20-12(16)13(22)21-11/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 4-chloro-1-methyl-7-(trifluoromethyl)imidazo[1,2-a]quinoxaline-2-carboxylate?
ethyl 4-chloro-1-methyl-7-(trifluoromethyl)imidazo[1,2-a]quinoxaline-2-carboxylate has a molecular weight of 357.72 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-1-methyl-7-(trifluoromethyl)imidazo[1,2-a]quinoxaline-2-carboxylate is sourced from PubChem (CID 18928110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).