3-(methoxymethyl)-2-oxo-3,4-dihydro-1H-quinoxaline-6-carboxylic acid

C11H12N2O4 — CID 82790960

IUPAC3-(methoxymethyl)-2-oxo-3,4-dihydro-1H-quinoxaline-6-carboxylic acid
SMILESCOCC1Nc2cc(C(=O)O)ccc2NC1=O
InChIInChI=1S/C11H12N2O4/c1-17-5-9-10(14)13-7-3-2-6(11(15)16)4-8(7)12-9/h2-4,9,12H,5H2,1H3,(H,13,14)(H,15,16)
InChIKeyIGHHRUVZMCPNPY-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.76
Rot. Bonds3

About 3-(methoxymethyl)-2-oxo-3,4-dihydro-1H-quinoxaline-6-carboxylic acid

3-(methoxymethyl)-2-oxo-3,4-dihydro-1H-quinoxaline-6-carboxylic acid (PubChem CID 82790960) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 3-(methoxymethyl)-2-oxo-3,4-dihydro-1H-quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name3-(methoxymethyl)-2-oxo-3,4-dihydro-1H-quinoxaline-6-carboxylic acid
PubChem CID82790960
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name3-(methoxymethyl)-2-oxo-3,4-dihydro-1H-quinoxaline-6-carboxylic acid
SMILESCOCC1Nc2cc(C(=O)O)ccc2NC1=O
InChIInChI=1S/C11H12N2O4/c1-17-5-9-10(14)13-7-3-2-6(11(15)16)4-8(7)12-9/h2-4,9,12H,5H2,1H3,(H,13,14)(H,15,16)
InChIKeyIGHHRUVZMCPNPY-UHFFFAOYSA-N
XLogP0.76
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-2-oxo-3,4-dihydro-1H-quinoxaline-6-carboxylic acid?
The IUPAC name of 3-(methoxymethyl)-2-oxo-3,4-dihydro-1H-quinoxaline-6-carboxylic acid (CID 82790960) is 3-(methoxymethyl)-2-oxo-3,4-dihydro-1H-quinoxaline-6-carboxylic acid.
What is the SMILES notation for 3-(methoxymethyl)-2-oxo-3,4-dihydro-1H-quinoxaline-6-carboxylic acid?
The canonical SMILES for 3-(methoxymethyl)-2-oxo-3,4-dihydro-1H-quinoxaline-6-carboxylic acid is COCC1Nc2cc(C(=O)O)ccc2NC1=O.
What is the InChIKey of 3-(methoxymethyl)-2-oxo-3,4-dihydro-1H-quinoxaline-6-carboxylic acid?
The InChIKey is IGHHRUVZMCPNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-17-5-9-10(14)13-7-3-2-6(11(15)16)4-8(7)12-9/h2-4,9,12H,5H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-(methoxymethyl)-2-oxo-3,4-dihydro-1H-quinoxaline-6-carboxylic acid?
3-(methoxymethyl)-2-oxo-3,4-dihydro-1H-quinoxaline-6-carboxylic acid has a molecular weight of 236.23 g/mol, XLogP of 0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-2-oxo-3,4-dihydro-1H-quinoxaline-6-carboxylic acid is sourced from PubChem (CID 82790960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).