ethyl 3-(3,4-difluoroanilino)quinoxaline-2-carboxylate

C17H13F2N3O2 — CID 50764897

IUPACethyl 3-(3,4-difluoroanilino)quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2ccccc2nc1Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H13F2N3O2/c1-2-24-17(23)15-16(20-10-7-8-11(18)12(19)9-10)22-14-6-4-3-5-13(14)21-15/h3-9H,2H2,1H3,(H,20,22)
InChIKeyRXWALDMXOMYEPL-UHFFFAOYSA-N
MW329.31 g/mol
LogP3.83
Rot. Bonds4

About ethyl 3-(3,4-difluoroanilino)quinoxaline-2-carboxylate

ethyl 3-(3,4-difluoroanilino)quinoxaline-2-carboxylate (PubChem CID 50764897) has the molecular formula C17H13F2N3O2 and a molecular weight of 329.31 g/mol. Its IUPAC name is ethyl 3-(3,4-difluoroanilino)quinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(3,4-difluoroanilino)quinoxaline-2-carboxylate
PubChem CID50764897
Molecular FormulaC17H13F2N3O2
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Nameethyl 3-(3,4-difluoroanilino)quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2ccccc2nc1Nc1ccc(F)c(F)c1
InChIInChI=1S/C17H13F2N3O2/c1-2-24-17(23)15-16(20-10-7-8-11(18)12(19)9-10)22-14-6-4-3-5-13(14)21-15/h3-9H,2H2,1H3,(H,20,22)
InChIKeyRXWALDMXOMYEPL-UHFFFAOYSA-N
XLogP3.83
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(3-chloro-4-fluoroanilino)quinoxaline-2-carboxylate
CID 50764986
4-[(3-ethoxycarbonylquinoxalin-2-yl)amino]benzoic acid
CID 59113312
ethyl 3-(5-fluoro-2-methylanilino)quinoxaline-2-carboxylate
CID 50764877
ethyl 3-(3-chloroanilino)-6,7-dimethylquinoxaline-2-carboxylate
CID 50764977
ethyl 3-(2,4-dimethylanilino)quinoxaline-2-carboxylate
CID 50764997
ethyl 4-[(3-methylquinoxalin-2-yl)amino]benzoate
CID 91124666
[(2R)-oxolan-2-yl]methyl 3-(3-chloro-4-fluoroanilino)quinoxaline-2-carboxylate
CID 94070055
propan-2-yl 3-(3-chloro-4-methylanilino)quinoxaline-2-carboxylate
CID 50765149
butyl 3-(3-methoxyanilino)quinoxaline-2-carboxylate
CID 50765138
oxolan-2-ylmethyl 3-(3,4-dimethylanilino)quinoxaline-2-carboxylate
CID 50820793
ethyl 3-[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate
CID 1402949
ethyl 6-chloro-4-(3,4-difluoroanilino)quinoline-2-carboxylate
CID 22425307

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3,4-difluoroanilino)quinoxaline-2-carboxylate?
The IUPAC name of ethyl 3-(3,4-difluoroanilino)quinoxaline-2-carboxylate (CID 50764897) is ethyl 3-(3,4-difluoroanilino)quinoxaline-2-carboxylate.
What is the SMILES notation for ethyl 3-(3,4-difluoroanilino)quinoxaline-2-carboxylate?
The canonical SMILES for ethyl 3-(3,4-difluoroanilino)quinoxaline-2-carboxylate is CCOC(=O)c1nc2ccccc2nc1Nc1ccc(F)c(F)c1.
What is the InChIKey of ethyl 3-(3,4-difluoroanilino)quinoxaline-2-carboxylate?
The InChIKey is RXWALDMXOMYEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O2/c1-2-24-17(23)15-16(20-10-7-8-11(18)12(19)9-10)22-14-6-4-3-5-13(14)21-15/h3-9H,2H2,1H3,(H,20,22).
What are the key properties of ethyl 3-(3,4-difluoroanilino)quinoxaline-2-carboxylate?
ethyl 3-(3,4-difluoroanilino)quinoxaline-2-carboxylate has a molecular weight of 329.31 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3,4-difluoroanilino)quinoxaline-2-carboxylate is sourced from PubChem (CID 50764897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).