ethyl 3-(2-methoxyethylamino)quinoxaline-2-carboxylate

C14H17N3O3 — CID 2331572

IUPACethyl 3-(2-methoxyethylamino)quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2ccccc2nc1NCCOC
InChIInChI=1S/C14H17N3O3/c1-3-20-14(18)12-13(15-8-9-19-2)17-11-7-5-4-6-10(11)16-12/h4-7H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyVBQLRARPDVANSB-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.86
Rot. Bonds6

About ethyl 3-(2-methoxyethylamino)quinoxaline-2-carboxylate

ethyl 3-(2-methoxyethylamino)quinoxaline-2-carboxylate (PubChem CID 2331572) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is ethyl 3-(2-methoxyethylamino)quinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-methoxyethylamino)quinoxaline-2-carboxylate
PubChem CID2331572
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Nameethyl 3-(2-methoxyethylamino)quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2ccccc2nc1NCCOC
InChIInChI=1S/C14H17N3O3/c1-3-20-14(18)12-13(15-8-9-19-2)17-11-7-5-4-6-10(11)16-12/h4-7H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyVBQLRARPDVANSB-UHFFFAOYSA-N
XLogP1.86
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-methoxyethylamino)quinoxaline-2-carboxylate?
The IUPAC name of ethyl 3-(2-methoxyethylamino)quinoxaline-2-carboxylate (CID 2331572) is ethyl 3-(2-methoxyethylamino)quinoxaline-2-carboxylate.
What is the SMILES notation for ethyl 3-(2-methoxyethylamino)quinoxaline-2-carboxylate?
The canonical SMILES for ethyl 3-(2-methoxyethylamino)quinoxaline-2-carboxylate is CCOC(=O)c1nc2ccccc2nc1NCCOC.
What is the InChIKey of ethyl 3-(2-methoxyethylamino)quinoxaline-2-carboxylate?
The InChIKey is VBQLRARPDVANSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-3-20-14(18)12-13(15-8-9-19-2)17-11-7-5-4-6-10(11)16-12/h4-7H,3,8-9H2,1-2H3,(H,15,17).
What are the key properties of ethyl 3-(2-methoxyethylamino)quinoxaline-2-carboxylate?
ethyl 3-(2-methoxyethylamino)quinoxaline-2-carboxylate has a molecular weight of 275.31 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-methoxyethylamino)quinoxaline-2-carboxylate is sourced from PubChem (CID 2331572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).