3-ethyl-4-methyl-2-oxo-1,3-dihydroquinoxaline-6-carboxylic acid

C12H14N2O3 — CID 82790655

IUPAC3-ethyl-4-methyl-2-oxo-1,3-dihydroquinoxaline-6-carboxylic acid
SMILESCCC1C(=O)Nc2ccc(C(=O)O)cc2N1C
InChIInChI=1S/C12H14N2O3/c1-3-9-11(15)13-8-5-4-7(12(16)17)6-10(8)14(9)2/h4-6,9H,3H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyTZSYBNVPEYZGMB-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.55
Rot. Bonds2

About 3-ethyl-4-methyl-2-oxo-1,3-dihydroquinoxaline-6-carboxylic acid

3-ethyl-4-methyl-2-oxo-1,3-dihydroquinoxaline-6-carboxylic acid (PubChem CID 82790655) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-ethyl-4-methyl-2-oxo-1,3-dihydroquinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-4-methyl-2-oxo-1,3-dihydroquinoxaline-6-carboxylic acid
PubChem CID82790655
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name3-ethyl-4-methyl-2-oxo-1,3-dihydroquinoxaline-6-carboxylic acid
SMILESCCC1C(=O)Nc2ccc(C(=O)O)cc2N1C
InChIInChI=1S/C12H14N2O3/c1-3-9-11(15)13-8-5-4-7(12(16)17)6-10(8)14(9)2/h4-6,9H,3H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyTZSYBNVPEYZGMB-UHFFFAOYSA-N
XLogP1.55
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methyl-2-oxo-1,3-dihydroquinoxaline-6-carboxylic acid?
The IUPAC name of 3-ethyl-4-methyl-2-oxo-1,3-dihydroquinoxaline-6-carboxylic acid (CID 82790655) is 3-ethyl-4-methyl-2-oxo-1,3-dihydroquinoxaline-6-carboxylic acid.
What is the SMILES notation for 3-ethyl-4-methyl-2-oxo-1,3-dihydroquinoxaline-6-carboxylic acid?
The canonical SMILES for 3-ethyl-4-methyl-2-oxo-1,3-dihydroquinoxaline-6-carboxylic acid is CCC1C(=O)Nc2ccc(C(=O)O)cc2N1C.
What is the InChIKey of 3-ethyl-4-methyl-2-oxo-1,3-dihydroquinoxaline-6-carboxylic acid?
The InChIKey is TZSYBNVPEYZGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-3-9-11(15)13-8-5-4-7(12(16)17)6-10(8)14(9)2/h4-6,9H,3H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 3-ethyl-4-methyl-2-oxo-1,3-dihydroquinoxaline-6-carboxylic acid?
3-ethyl-4-methyl-2-oxo-1,3-dihydroquinoxaline-6-carboxylic acid has a molecular weight of 234.25 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methyl-2-oxo-1,3-dihydroquinoxaline-6-carboxylic acid is sourced from PubChem (CID 82790655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).