ethyl (2R)-2-methyl-3-oxo-2H-quinoxaline-6-carboxylate

C12H12N2O3 — CID 119057460

IUPACethyl (2R)-2-methyl-3-oxo-2H-quinoxaline-6-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)=NC(=O)[C@@H](C)N=2
InChIInChI=1S/C12H12N2O3/c1-3-17-12(16)8-4-5-9-10(6-8)14-11(15)7(2)13-9/h4-7H,3H2,1-2H3/t7-/m1/s1
InChIKeyMSMWKDSANDRULX-SSDOTTSWSA-N
MW232.24 g/mol
LogP0.03
Rot. Bonds2

About ethyl (2R)-2-methyl-3-oxo-2H-quinoxaline-6-carboxylate

ethyl (2R)-2-methyl-3-oxo-2H-quinoxaline-6-carboxylate (PubChem CID 119057460) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is ethyl (2R)-2-methyl-3-oxo-2H-quinoxaline-6-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-2-methyl-3-oxo-2H-quinoxaline-6-carboxylate
PubChem CID119057460
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Nameethyl (2R)-2-methyl-3-oxo-2H-quinoxaline-6-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)=NC(=O)[C@@H](C)N=2
InChIInChI=1S/C12H12N2O3/c1-3-17-12(16)8-4-5-9-10(6-8)14-11(15)7(2)13-9/h4-7H,3H2,1-2H3/t7-/m1/s1
InChIKeyMSMWKDSANDRULX-SSDOTTSWSA-N
XLogP0.03
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-methyl-3-oxo-2H-quinoxaline-6-carboxylate?
The IUPAC name of ethyl (2R)-2-methyl-3-oxo-2H-quinoxaline-6-carboxylate (CID 119057460) is ethyl (2R)-2-methyl-3-oxo-2H-quinoxaline-6-carboxylate.
What is the SMILES notation for ethyl (2R)-2-methyl-3-oxo-2H-quinoxaline-6-carboxylate?
The canonical SMILES for ethyl (2R)-2-methyl-3-oxo-2H-quinoxaline-6-carboxylate is CCOC(=O)c1ccc2c(c1)=NC(=O)[C@@H](C)N=2.
What is the InChIKey of ethyl (2R)-2-methyl-3-oxo-2H-quinoxaline-6-carboxylate?
The InChIKey is MSMWKDSANDRULX-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-3-17-12(16)8-4-5-9-10(6-8)14-11(15)7(2)13-9/h4-7H,3H2,1-2H3/t7-/m1/s1.
What are the key properties of ethyl (2R)-2-methyl-3-oxo-2H-quinoxaline-6-carboxylate?
ethyl (2R)-2-methyl-3-oxo-2H-quinoxaline-6-carboxylate has a molecular weight of 232.24 g/mol, XLogP of 0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-methyl-3-oxo-2H-quinoxaline-6-carboxylate is sourced from PubChem (CID 119057460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).