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

C19H19N3O2 — CID 50764997

IUPACethyl 3-(2,4-dimethylanilino)quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2ccccc2nc1Nc1ccc(C)cc1C
InChIInChI=1S/C19H19N3O2/c1-4-24-19(23)17-18(21-14-10-9-12(2)11-13(14)3)22-16-8-6-5-7-15(16)20-17/h5-11H,4H2,1-3H3,(H,21,22)
InChIKeyJRCXPJCZEABVAN-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.17
Rot. Bonds4

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

ethyl 3-(2,4-dimethylanilino)quinoxaline-2-carboxylate (PubChem CID 50764997) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is ethyl 3-(2,4-dimethylanilino)quinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2,4-dimethylanilino)quinoxaline-2-carboxylate
PubChem CID50764997
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Nameethyl 3-(2,4-dimethylanilino)quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2ccccc2nc1Nc1ccc(C)cc1C
InChIInChI=1S/C19H19N3O2/c1-4-24-19(23)17-18(21-14-10-9-12(2)11-13(14)3)22-16-8-6-5-7-15(16)20-17/h5-11H,4H2,1-3H3,(H,21,22)
InChIKeyJRCXPJCZEABVAN-UHFFFAOYSA-N
XLogP4.17
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-oxolan-2-yl]methyl 3-(2,4-dimethylanilino)quinoxaline-2-carboxylate
CID 94070043
ethyl 3-(5-fluoro-2-methylanilino)quinoxaline-2-carboxylate
CID 50764877
ethyl 3-(3,4-difluoroanilino)quinoxaline-2-carboxylate
CID 50764897
ethyl 2-(2,4-dimethylanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526403
4-[(3-ethoxycarbonylquinoxalin-2-yl)amino]benzoic acid
CID 59113312
ethyl 3-(3-chloro-4-fluoroanilino)quinoxaline-2-carboxylate
CID 50764986
methyl 4-(2,4-dimethylanilino)quinazoline-2-carboxylate
CID 139207867
ethyl 3-[4-(2,4-dimethylphenyl)piperazin-1-yl]quinoxaline-2-carboxylate
CID 50764980
ethyl 6,7-dimethyl-3-[(4-methylphenyl)methylamino]quinoxaline-2-carboxylate
CID 39886314
2-methylpropyl 3-(2,5-diethoxyanilino)quinoxaline-2-carboxylate
CID 50765373
ethyl 3-(3-chloroanilino)-6,7-dimethylquinoxaline-2-carboxylate
CID 50764977
ethyl 5-(2-methylanilino)-3-phenyl-1,2,4-triazine-6-carboxylate
CID 20851112

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,4-dimethylanilino)quinoxaline-2-carboxylate?
The IUPAC name of ethyl 3-(2,4-dimethylanilino)quinoxaline-2-carboxylate (CID 50764997) is ethyl 3-(2,4-dimethylanilino)quinoxaline-2-carboxylate.
What is the SMILES notation for ethyl 3-(2,4-dimethylanilino)quinoxaline-2-carboxylate?
The canonical SMILES for ethyl 3-(2,4-dimethylanilino)quinoxaline-2-carboxylate is CCOC(=O)c1nc2ccccc2nc1Nc1ccc(C)cc1C.
What is the InChIKey of ethyl 3-(2,4-dimethylanilino)quinoxaline-2-carboxylate?
The InChIKey is JRCXPJCZEABVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-4-24-19(23)17-18(21-14-10-9-12(2)11-13(14)3)22-16-8-6-5-7-15(16)20-17/h5-11H,4H2,1-3H3,(H,21,22).
What are the key properties of ethyl 3-(2,4-dimethylanilino)quinoxaline-2-carboxylate?
ethyl 3-(2,4-dimethylanilino)quinoxaline-2-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,4-dimethylanilino)quinoxaline-2-carboxylate is sourced from PubChem (CID 50764997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).