ethyl 4-[(2-oxo-1H-quinoxalin-6-yl)oxy]butanoate

C14H16N2O4 — CID 19849123

IUPACethyl 4-[(2-oxo-1H-quinoxalin-6-yl)oxy]butanoate
SMILESCCOC(=O)CCCOc1ccc2[nH]c(=O)cnc2c1
InChIInChI=1S/C14H16N2O4/c1-2-19-14(18)4-3-7-20-10-5-6-11-12(8-10)15-9-13(17)16-11/h5-6,8-9H,2-4,7H2,1H3,(H,16,17)
InChIKeyUCJXICAHTNLQAY-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.65
Rot. Bonds6

About ethyl 4-[(2-oxo-1H-quinoxalin-6-yl)oxy]butanoate

ethyl 4-[(2-oxo-1H-quinoxalin-6-yl)oxy]butanoate (PubChem CID 19849123) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is ethyl 4-[(2-oxo-1H-quinoxalin-6-yl)oxy]butanoate.

Molecular Properties

Compound Nameethyl 4-[(2-oxo-1H-quinoxalin-6-yl)oxy]butanoate
PubChem CID19849123
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Nameethyl 4-[(2-oxo-1H-quinoxalin-6-yl)oxy]butanoate
SMILESCCOC(=O)CCCOc1ccc2[nH]c(=O)cnc2c1
InChIInChI=1S/C14H16N2O4/c1-2-19-14(18)4-3-7-20-10-5-6-11-12(8-10)15-9-13(17)16-11/h5-6,8-9H,2-4,7H2,1H3,(H,16,17)
InChIKeyUCJXICAHTNLQAY-UHFFFAOYSA-N
XLogP1.65
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-oxo-1H-quinoxalin-6-yl)oxy]butanoic acid
CID 19849120
ethyl 2-hydroxy-2-(2-oxo-1H-quinoxalin-6-yl)acetate
CID 117372969
ethyl 6-[(2-methyl-1,3-benzothiazol-5-yl)oxy]hexanoate
CID 177166236
ethyl 4-(4-formyl-3-hydroxyphenoxy)butanoate
CID 19603738
5-(4-ethoxy-4-oxobutoxy)pyridine-2-carboxylic acid
CID 156739390
ethyl 4-[4-(6-methoxy-1H-benzimidazol-2-yl)phenoxy]butanoate
CID 103597171
ethyl 6-[[6-(aminomethyl)-3-pyridinyl]oxy]hexanoate
CID 79776365
ethyl 4-[3-hydroxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]butanoate
CID 168550872
ethyl 4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenoxy]butanoate
CID 103597145
5-(6-ethoxy-6-oxohexoxy)pyridine-2-carboxylic acid
CID 79794520
ethyl 4-(3-hydroxy-4-methanehydrazonoylphenoxy)butanoate
CID 168529079
ethyl 4-(4-formyl-3-nitrosophenoxy)butanoate
CID 130434963

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-oxo-1H-quinoxalin-6-yl)oxy]butanoate?
The IUPAC name of ethyl 4-[(2-oxo-1H-quinoxalin-6-yl)oxy]butanoate (CID 19849123) is ethyl 4-[(2-oxo-1H-quinoxalin-6-yl)oxy]butanoate.
What is the SMILES notation for ethyl 4-[(2-oxo-1H-quinoxalin-6-yl)oxy]butanoate?
The canonical SMILES for ethyl 4-[(2-oxo-1H-quinoxalin-6-yl)oxy]butanoate is CCOC(=O)CCCOc1ccc2[nH]c(=O)cnc2c1.
What is the InChIKey of ethyl 4-[(2-oxo-1H-quinoxalin-6-yl)oxy]butanoate?
The InChIKey is UCJXICAHTNLQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-2-19-14(18)4-3-7-20-10-5-6-11-12(8-10)15-9-13(17)16-11/h5-6,8-9H,2-4,7H2,1H3,(H,16,17).
What are the key properties of ethyl 4-[(2-oxo-1H-quinoxalin-6-yl)oxy]butanoate?
ethyl 4-[(2-oxo-1H-quinoxalin-6-yl)oxy]butanoate has a molecular weight of 276.29 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-oxo-1H-quinoxalin-6-yl)oxy]butanoate is sourced from PubChem (CID 19849123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).