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

C20H13F3N2O3 — CID 509482

IUPAC4-[[7-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]methoxy]benzoic acid
SMILESO=C(O)c1ccc(OCc2nc3cc(C(F)(F)F)ccc3n3cccc23)cc1
InChIInChI=1S/C20H13F3N2O3/c21-20(22,23)13-5-8-18-15(10-13)24-16(17-2-1-9-25(17)18)11-28-14-6-3-12(4-7-14)19(26)27/h1-10H,11H2,(H,26,27)
InChIKeyLYLBHNASMRWQRI-UHFFFAOYSA-N
MW386.33 g/mol
LogP4.78
Rot. Bonds4

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

4-[[7-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]methoxy]benzoic acid (PubChem CID 509482) has the molecular formula C20H13F3N2O3 and a molecular weight of 386.33 g/mol. Its IUPAC name is 4-[[7-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]methoxy]benzoic acid.

Molecular Properties

Compound Name4-[[7-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]methoxy]benzoic acid
PubChem CID509482
Molecular FormulaC20H13F3N2O3
Molecular Weight386.33 g/mol
Exact Mass386.09
IUPAC Name4-[[7-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]methoxy]benzoic acid
SMILESO=C(O)c1ccc(OCc2nc3cc(C(F)(F)F)ccc3n3cccc23)cc1
InChIInChI=1S/C20H13F3N2O3/c21-20(22,23)13-5-8-18-15(10-13)24-16(17-2-1-9-25(17)18)11-28-14-6-3-12(4-7-14)19(26)27/h1-10H,11H2,(H,26,27)
InChIKeyLYLBHNASMRWQRI-UHFFFAOYSA-N
XLogP4.78
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-(2-(4-(1-(2-ethoxyethyl)-1H-indol-3-yl)piperidin-1-yl)ethoxy)benzoic acid
CID 9889248
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
Ethyl 4-[[7-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]methoxy]benzoate
CID 509480
4-(Pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoic acid
CID 509481
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
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
Methyl 4-[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]oxybenzoate
CID 384952

Frequently Asked Questions

What is the IUPAC name of 4-[[7-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]methoxy]benzoic acid?
The IUPAC name of 4-[[7-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]methoxy]benzoic acid (CID 509482) is 4-[[7-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]methoxy]benzoic acid.
What is the SMILES notation for 4-[[7-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]methoxy]benzoic acid?
The canonical SMILES for 4-[[7-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]methoxy]benzoic acid is O=C(O)c1ccc(OCc2nc3cc(C(F)(F)F)ccc3n3cccc23)cc1.
What is the InChIKey of 4-[[7-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]methoxy]benzoic acid?
The InChIKey is LYLBHNASMRWQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2O3/c21-20(22,23)13-5-8-18-15(10-13)24-16(17-2-1-9-25(17)18)11-28-14-6-3-12(4-7-14)19(26)27/h1-10H,11H2,(H,26,27).
What are the key properties of 4-[[7-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]methoxy]benzoic acid?
4-[[7-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]methoxy]benzoic acid has a molecular weight of 386.33 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]methoxy]benzoic acid is sourced from PubChem (CID 509482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).