ethyl 3-(5-fluoro-2-methylanilino)quinoxaline-2-carboxylate

C18H16FN3O2 — CID 50764877

IUPACethyl 3-(5-fluoro-2-methylanilino)quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2ccccc2nc1Nc1cc(F)ccc1C
InChIInChI=1S/C18H16FN3O2/c1-3-24-18(23)16-17(21-14-7-5-4-6-13(14)20-16)22-15-10-12(19)9-8-11(15)2/h4-10H,3H2,1-2H3,(H,21,22)
InChIKeyLLXBZSJMHKDHCK-UHFFFAOYSA-N
MW325.34 g/mol
LogP4.00
Rot. Bonds4

About ethyl 3-(5-fluoro-2-methylanilino)quinoxaline-2-carboxylate

ethyl 3-(5-fluoro-2-methylanilino)quinoxaline-2-carboxylate (PubChem CID 50764877) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is ethyl 3-(5-fluoro-2-methylanilino)quinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(5-fluoro-2-methylanilino)quinoxaline-2-carboxylate
PubChem CID50764877
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Nameethyl 3-(5-fluoro-2-methylanilino)quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2ccccc2nc1Nc1cc(F)ccc1C
InChIInChI=1S/C18H16FN3O2/c1-3-24-18(23)16-17(21-14-7-5-4-6-13(14)20-16)22-15-10-12(19)9-8-11(15)2/h4-10H,3H2,1-2H3,(H,21,22)
InChIKeyLLXBZSJMHKDHCK-UHFFFAOYSA-N
XLogP4.00
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(2,4-dimethylanilino)quinoxaline-2-carboxylate
CID 50764997
ethyl 3-(3,4-difluoroanilino)quinoxaline-2-carboxylate
CID 50764897
ethyl 3-(3-chloro-4-fluoroanilino)quinoxaline-2-carboxylate
CID 50764986
ethyl 4-(2,5-difluoroanilino)quinazoline-2-carboxylate
CID 46349613
4-[(3-ethoxycarbonylquinoxalin-2-yl)amino]benzoic acid
CID 59113312
diethyl 6-fluoroquinoline-2,3-dicarboxylate
CID 13351927
2-methylpropyl 3-(2,5-diethoxyanilino)quinoxaline-2-carboxylate
CID 50765373
ethyl 3-(3-chloroanilino)-6,7-dimethylquinoxaline-2-carboxylate
CID 50764977
[(2R)-oxolan-2-yl]methyl 3-(2-ethoxyanilino)quinoxaline-2-carboxylate
CID 94090855
ethyl 3,4-difluoroquinoline-2-carboxylate
CID 175398160
3-ethoxy-N-(5-fluoro-2-methylphenyl)-6,7-dimethylquinoxaline-2-carboxamide
CID 50780142
ethyl 2-(4-fluoro-2-methylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526425

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(5-fluoro-2-methylanilino)quinoxaline-2-carboxylate?
The IUPAC name of ethyl 3-(5-fluoro-2-methylanilino)quinoxaline-2-carboxylate (CID 50764877) is ethyl 3-(5-fluoro-2-methylanilino)quinoxaline-2-carboxylate.
What is the SMILES notation for ethyl 3-(5-fluoro-2-methylanilino)quinoxaline-2-carboxylate?
The canonical SMILES for ethyl 3-(5-fluoro-2-methylanilino)quinoxaline-2-carboxylate is CCOC(=O)c1nc2ccccc2nc1Nc1cc(F)ccc1C.
What is the InChIKey of ethyl 3-(5-fluoro-2-methylanilino)quinoxaline-2-carboxylate?
The InChIKey is LLXBZSJMHKDHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-3-24-18(23)16-17(21-14-7-5-4-6-13(14)20-16)22-15-10-12(19)9-8-11(15)2/h4-10H,3H2,1-2H3,(H,21,22).
What are the key properties of ethyl 3-(5-fluoro-2-methylanilino)quinoxaline-2-carboxylate?
ethyl 3-(5-fluoro-2-methylanilino)quinoxaline-2-carboxylate has a molecular weight of 325.34 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(5-fluoro-2-methylanilino)quinoxaline-2-carboxylate is sourced from PubChem (CID 50764877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).