[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] quinoxaline-2-carboxylate

C18H12F3N3O3 — CID 30030798

IUPAC[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] quinoxaline-2-carboxylate
SMILESO=C(COC(=O)c1cnc2ccccc2n1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H12F3N3O3/c19-18(20,21)11-4-3-5-12(8-11)23-16(25)10-27-17(26)15-9-22-13-6-1-2-7-14(13)24-15/h1-9H,10H2,(H,23,25)
InChIKeyVISDVHQZPLEGMP-UHFFFAOYSA-N
MW375.31 g/mol
LogP3.44
Rot. Bonds4

About [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] quinoxaline-2-carboxylate

[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] quinoxaline-2-carboxylate (PubChem CID 30030798) has the molecular formula C18H12F3N3O3 and a molecular weight of 375.31 g/mol. Its IUPAC name is [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] quinoxaline-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] quinoxaline-2-carboxylate
PubChem CID30030798
Molecular FormulaC18H12F3N3O3
Molecular Weight375.31 g/mol
Exact Mass375.08
IUPAC Name[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] quinoxaline-2-carboxylate
SMILESO=C(COC(=O)c1cnc2ccccc2n1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H12F3N3O3/c19-18(20,21)11-4-3-5-12(8-11)23-16(25)10-27-17(26)15-9-22-13-6-1-2-7-14(13)24-15/h1-9H,10H2,(H,23,25)
InChIKeyVISDVHQZPLEGMP-UHFFFAOYSA-N
XLogP3.44
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-methylsulfanylanilino)-2-oxoethyl] quinoxaline-2-carboxylate
CID 30031478
[2-(4-bromo-3-methylanilino)-2-oxoethyl] quinoxaline-2-carboxylate
CID 30031003
[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] quinoxaline-2-carboxylate
CID 23859831
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-ethylsulfonylbenzoate
CID 8854856
[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate
CID 2508704
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] quinoxaline-2-carboxylate
CID 23773548
[2-oxo-2-(2-phenylanilino)ethyl] quinoxaline-2-carboxylate
CID 30031920
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-(difluoromethylsulfonyl)benzoate
CID 2499508
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7727233
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 2642304
[2-oxo-2-(3-phenoxyanilino)ethyl] 4-(trifluoromethyl)benzoate
CID 2427103
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-(2-methoxyphenoxy)acetate
CID 8913496

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] quinoxaline-2-carboxylate?
The IUPAC name of [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] quinoxaline-2-carboxylate (CID 30030798) is [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] quinoxaline-2-carboxylate.
What is the SMILES notation for [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] quinoxaline-2-carboxylate?
The canonical SMILES for [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] quinoxaline-2-carboxylate is O=C(COC(=O)c1cnc2ccccc2n1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] quinoxaline-2-carboxylate?
The InChIKey is VISDVHQZPLEGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O3/c19-18(20,21)11-4-3-5-12(8-11)23-16(25)10-27-17(26)15-9-22-13-6-1-2-7-14(13)24-15/h1-9H,10H2,(H,23,25).
What are the key properties of [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] quinoxaline-2-carboxylate?
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] quinoxaline-2-carboxylate has a molecular weight of 375.31 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] quinoxaline-2-carboxylate is sourced from PubChem (CID 30030798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).