ethyl 4-[[7-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]methoxy]benzoate

C22H17F3N2O3 — CID 509480

IUPACethyl 4-[[7-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]methoxy]benzoate
SMILESCCOC(=O)c1ccc(OCc2nc3cc(C(F)(F)F)ccc3n3cccc23)cc1
InChIInChI=1S/C22H17F3N2O3/c1-2-29-21(28)14-5-8-16(9-6-14)30-13-18-19-4-3-11-27(19)20-10-7-15(22(23,24)25)12-17(20)26-18/h3-12H,2,13H2,1H3
InChIKeyKJSJWOVMRFJNLP-UHFFFAOYSA-N
MW414.38 g/mol
LogP5.26
Rot. Bonds5

About ethyl 4-[[7-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]methoxy]benzoate

ethyl 4-[[7-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]methoxy]benzoate (PubChem CID 509480) has the molecular formula C22H17F3N2O3 and a molecular weight of 414.38 g/mol. Its IUPAC name is ethyl 4-[[7-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]methoxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[[7-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]methoxy]benzoate
PubChem CID509480
Molecular FormulaC22H17F3N2O3
Molecular Weight414.38 g/mol
Exact Mass414.12
IUPAC Nameethyl 4-[[7-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]methoxy]benzoate
SMILESCCOC(=O)c1ccc(OCc2nc3cc(C(F)(F)F)ccc3n3cccc23)cc1
InChIInChI=1S/C22H17F3N2O3/c1-2-29-21(28)14-5-8-16(9-6-14)30-13-18-19-4-3-11-27(19)20-10-7-15(22(23,24)25)12-17(20)26-18/h3-12H,2,13H2,1H3
InChIKeyKJSJWOVMRFJNLP-UHFFFAOYSA-N
XLogP5.26
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.38
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[7-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]methoxy]benzoate with MolForge

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Related Compounds

(E)-1-(4-methoxyphenyl)-3-quinoxalin-6-ylprop-2-en-1-one
CID 30896378
Diethyl 2-[[4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoyl]amino]pentanedioate
CID 399539
4-[(3,5-Dimethoxyphenoxy)methyl]-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline
CID 509478
4-[(4-Methoxyphenoxy)methyl]-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline
CID 509479
4-(Pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoic acid
CID 509481
4-[[7-(Trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]methoxy]benzoic acid
CID 509482
Diethyl 2-[[4-[[7-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]methoxy]benzoyl]amino]pentanedioate
CID 509485
2-[[4-[[7-(Trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]methoxy]benzoyl]amino]pentanedioic acid
CID 509487
(7-Cyano-2,3-diphenylindolizin-1-yl) 4-methoxybenzoate
CID 57396482
Ethyl 4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoate
CID 509476
2-[[4-(Pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoyl]amino]pentanedioic acid
CID 509486
4-((3-Phenyl-7-(trifluoromethyl)-2-quinoxalinyl)methoxy)benzoic acid
CID 387370

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[7-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]methoxy]benzoate?
The IUPAC name of ethyl 4-[[7-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]methoxy]benzoate (CID 509480) is ethyl 4-[[7-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]methoxy]benzoate.
What is the SMILES notation for ethyl 4-[[7-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]methoxy]benzoate?
The canonical SMILES for ethyl 4-[[7-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]methoxy]benzoate is CCOC(=O)c1ccc(OCc2nc3cc(C(F)(F)F)ccc3n3cccc23)cc1.
What is the InChIKey of ethyl 4-[[7-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]methoxy]benzoate?
The InChIKey is KJSJWOVMRFJNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O3/c1-2-29-21(28)14-5-8-16(9-6-14)30-13-18-19-4-3-11-27(19)20-10-7-15(22(23,24)25)12-17(20)26-18/h3-12H,2,13H2,1H3.
What are the key properties of ethyl 4-[[7-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]methoxy]benzoate?
ethyl 4-[[7-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]methoxy]benzoate has a molecular weight of 414.38 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[7-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]methoxy]benzoate is sourced from PubChem (CID 509480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).