1-(2-methoxyethyl)-4-[2-(2-methoxyethylamino)acetyl]-2-oxo-3H-quinoxaline-6-carboxylic acid

C17H23N3O6 — CID 134084825

IUPAC1-(2-methoxyethyl)-4-[2-(2-methoxyethylamino)acetyl]-2-oxo-3H-quinoxaline-6-carboxylic acid
SMILESCOCCNCC(=O)N1CC(=O)N(CCOC)c2ccc(C(=O)O)cc21
InChIInChI=1S/C17H23N3O6/c1-25-7-5-18-10-15(21)20-11-16(22)19(6-8-26-2)13-4-3-12(17(23)24)9-14(13)20/h3-4,9,18H,5-8,10-11H2,1-2H3,(H,23,24)
InChIKeyVBNNEJNLYZUCLN-UHFFFAOYSA-N
MW365.39 g/mol
LogP-0.05
Rot. Bonds9

About 1-(2-methoxyethyl)-4-[2-(2-methoxyethylamino)acetyl]-2-oxo-3H-quinoxaline-6-carboxylic acid

1-(2-methoxyethyl)-4-[2-(2-methoxyethylamino)acetyl]-2-oxo-3H-quinoxaline-6-carboxylic acid (PubChem CID 134084825) has the molecular formula C17H23N3O6 and a molecular weight of 365.39 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-[2-(2-methoxyethylamino)acetyl]-2-oxo-3H-quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-[2-(2-methoxyethylamino)acetyl]-2-oxo-3H-quinoxaline-6-carboxylic acid
PubChem CID134084825
Molecular FormulaC17H23N3O6
Molecular Weight365.39 g/mol
Exact Mass365.16
IUPAC Name1-(2-methoxyethyl)-4-[2-(2-methoxyethylamino)acetyl]-2-oxo-3H-quinoxaline-6-carboxylic acid
SMILESCOCCNCC(=O)N1CC(=O)N(CCOC)c2ccc(C(=O)O)cc21
InChIInChI=1S/C17H23N3O6/c1-25-7-5-18-10-15(21)20-11-16(22)19(6-8-26-2)13-4-3-12(17(23)24)9-14(13)20/h3-4,9,18H,5-8,10-11H2,1-2H3,(H,23,24)
InChIKeyVBNNEJNLYZUCLN-UHFFFAOYSA-N
XLogP-0.05
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2-methoxyethylamino)acetyl]-2-oxo-1-(2-thiophen-2-ylethyl)-3H-quinoxaline-6-carboxylic acid
CID 134084811
1-(2-methoxyethyl)-2-oxo-4-[2-(oxolan-2-ylmethylamino)acetyl]-3H-quinoxaline-6-carboxylic acid
CID 134084827
1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 102711328
1-butyl-4-[2-(4-methoxycarbonylpiperidin-1-yl)acetyl]-2-oxo-3H-quinoxaline-6-carboxylic acid
CID 134084752
1-butyl-2-oxo-4-(2-thiomorpholin-4-ylacetyl)-3H-quinoxaline-6-carboxylic acid
CID 134084745
1-(3-methoxypropyl)-2-oxo-3H-indole-5-carboxylic acid
CID 102711072
2-oxo-4-[(E)-3-phenylprop-2-enoyl]-1-(3-propan-2-yloxypropyl)-3H-quinoxaline-6-carboxylic acid
CID 134084897
1-butyl-2-oxo-4-[2-(4-propan-2-ylphenyl)sulfanylacetyl]-3H-quinoxaline-6-carboxylic acid
CID 134084760
1-butyl-2-oxo-4-[2-(4-phenylpiperazin-1-yl)acetyl]-3H-quinoxaline-6-carboxylic acid
CID 134084748
1-methyl-2-oxo-4-(2-piperidin-1-ylacetyl)-3H-quinoxaline-6-carboxylic acid
CID 10813220
4-[2-(cyclopentylamino)acetyl]-2-oxo-1-propan-2-yl-3H-quinoxaline-6-carboxylic acid
CID 58748659
1-(2-aminopropyl)-4-methyl-2-oxo-3H-quinoxaline-6-carboxylic acid
CID 117031201

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-[2-(2-methoxyethylamino)acetyl]-2-oxo-3H-quinoxaline-6-carboxylic acid?
The IUPAC name of 1-(2-methoxyethyl)-4-[2-(2-methoxyethylamino)acetyl]-2-oxo-3H-quinoxaline-6-carboxylic acid (CID 134084825) is 1-(2-methoxyethyl)-4-[2-(2-methoxyethylamino)acetyl]-2-oxo-3H-quinoxaline-6-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyethyl)-4-[2-(2-methoxyethylamino)acetyl]-2-oxo-3H-quinoxaline-6-carboxylic acid?
The canonical SMILES for 1-(2-methoxyethyl)-4-[2-(2-methoxyethylamino)acetyl]-2-oxo-3H-quinoxaline-6-carboxylic acid is COCCNCC(=O)N1CC(=O)N(CCOC)c2ccc(C(=O)O)cc21.
What is the InChIKey of 1-(2-methoxyethyl)-4-[2-(2-methoxyethylamino)acetyl]-2-oxo-3H-quinoxaline-6-carboxylic acid?
The InChIKey is VBNNEJNLYZUCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O6/c1-25-7-5-18-10-15(21)20-11-16(22)19(6-8-26-2)13-4-3-12(17(23)24)9-14(13)20/h3-4,9,18H,5-8,10-11H2,1-2H3,(H,23,24).
What are the key properties of 1-(2-methoxyethyl)-4-[2-(2-methoxyethylamino)acetyl]-2-oxo-3H-quinoxaline-6-carboxylic acid?
1-(2-methoxyethyl)-4-[2-(2-methoxyethylamino)acetyl]-2-oxo-3H-quinoxaline-6-carboxylic acid has a molecular weight of 365.39 g/mol, XLogP of -0.05, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-[2-(2-methoxyethylamino)acetyl]-2-oxo-3H-quinoxaline-6-carboxylic acid is sourced from PubChem (CID 134084825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).