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

C19H25N3O6 — CID 134084827

IUPAC1-(2-methoxyethyl)-2-oxo-4-[2-(oxolan-2-ylmethylamino)acetyl]-3H-quinoxaline-6-carboxylic acid
SMILESCOCCN1C(=O)CN(C(=O)CNCC2CCCO2)c2cc(C(=O)O)ccc21
InChIInChI=1S/C19H25N3O6/c1-27-8-6-21-15-5-4-13(19(25)26)9-16(15)22(12-18(21)24)17(23)11-20-10-14-3-2-7-28-14/h4-5,9,14,20H,2-3,6-8,10-12H2,1H3,(H,25,26)
InChIKeyKCRLLWDAQMWYCD-UHFFFAOYSA-N
MW391.42 g/mol
LogP0.48
Rot. Bonds8

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

1-(2-methoxyethyl)-2-oxo-4-[2-(oxolan-2-ylmethylamino)acetyl]-3H-quinoxaline-6-carboxylic acid (PubChem CID 134084827) has the molecular formula C19H25N3O6 and a molecular weight of 391.42 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-oxo-4-[2-(oxolan-2-ylmethylamino)acetyl]-3H-quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-oxo-4-[2-(oxolan-2-ylmethylamino)acetyl]-3H-quinoxaline-6-carboxylic acid
PubChem CID134084827
Molecular FormulaC19H25N3O6
Molecular Weight391.42 g/mol
Exact Mass391.17
IUPAC Name1-(2-methoxyethyl)-2-oxo-4-[2-(oxolan-2-ylmethylamino)acetyl]-3H-quinoxaline-6-carboxylic acid
SMILESCOCCN1C(=O)CN(C(=O)CNCC2CCCO2)c2cc(C(=O)O)ccc21
InChIInChI=1S/C19H25N3O6/c1-27-8-6-21-15-5-4-13(19(25)26)9-16(15)22(12-18(21)24)17(23)11-20-10-14-3-2-7-28-14/h4-5,9,14,20H,2-3,6-8,10-12H2,1H3,(H,25,26)
InChIKeyKCRLLWDAQMWYCD-UHFFFAOYSA-N
XLogP0.48
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2-methoxyethyl)-2-oxo-4-[2-(oxolan-2-ylmethylamino)acetyl]-3H-quinoxaline-6-carboxylic acid with MolForge

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Related Compounds

1-(2-methoxyethyl)-4-[2-(2-methoxyethylamino)acetyl]-2-oxo-3H-quinoxaline-6-carboxylic acid
CID 134084825
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(2R)-oxolan-2-yl]methylamino]ethanone
CID 1439765
1-[2-[(3S)-1-[2-[[(2R)-oxolan-2-yl]methylamino]acetyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 124702502
1-[2-[(3R)-1-[2-[[(2S)-oxolan-2-yl]methylamino]acetyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 124702530
1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-(oxolan-2-ylmethylamino)ethanone;dihydrochloride
CID 119836964
4-methoxy-3-(oxolan-2-ylmethylamino)benzoic acid
CID 82836476
4-(2-methoxyethylamino)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 99979861
methyl 2-[[(2R)-oxolan-2-yl]methylamino]acetate
CID 28585559
4-[6-(oxolan-2-ylmethylamino)hexoxy]benzoic acid
CID 4829898
1-(azepan-1-yl)-2-[[(2R)-oxolan-2-yl]methylamino]ethanone
CID 7437129
N-benzyl-N-(2-methoxyethyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119681545
2-(oxan-2-ylmethylamino)-1-piperidin-1-ylethanone
CID 54948766

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-oxo-4-[2-(oxolan-2-ylmethylamino)acetyl]-3H-quinoxaline-6-carboxylic acid?
The IUPAC name of 1-(2-methoxyethyl)-2-oxo-4-[2-(oxolan-2-ylmethylamino)acetyl]-3H-quinoxaline-6-carboxylic acid (CID 134084827) is 1-(2-methoxyethyl)-2-oxo-4-[2-(oxolan-2-ylmethylamino)acetyl]-3H-quinoxaline-6-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyethyl)-2-oxo-4-[2-(oxolan-2-ylmethylamino)acetyl]-3H-quinoxaline-6-carboxylic acid?
The canonical SMILES for 1-(2-methoxyethyl)-2-oxo-4-[2-(oxolan-2-ylmethylamino)acetyl]-3H-quinoxaline-6-carboxylic acid is COCCN1C(=O)CN(C(=O)CNCC2CCCO2)c2cc(C(=O)O)ccc21.
What is the InChIKey of 1-(2-methoxyethyl)-2-oxo-4-[2-(oxolan-2-ylmethylamino)acetyl]-3H-quinoxaline-6-carboxylic acid?
The InChIKey is KCRLLWDAQMWYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O6/c1-27-8-6-21-15-5-4-13(19(25)26)9-16(15)22(12-18(21)24)17(23)11-20-10-14-3-2-7-28-14/h4-5,9,14,20H,2-3,6-8,10-12H2,1H3,(H,25,26).
What are the key properties of 1-(2-methoxyethyl)-2-oxo-4-[2-(oxolan-2-ylmethylamino)acetyl]-3H-quinoxaline-6-carboxylic acid?
1-(2-methoxyethyl)-2-oxo-4-[2-(oxolan-2-ylmethylamino)acetyl]-3H-quinoxaline-6-carboxylic acid has a molecular weight of 391.42 g/mol, XLogP of 0.48, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-oxo-4-[2-(oxolan-2-ylmethylamino)acetyl]-3H-quinoxaline-6-carboxylic acid is sourced from PubChem (CID 134084827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).