methyl 2,3-dimethylquinoxaline-6-carboxylate

C12H12N2O2 — CID 2826629

IUPACmethyl 2,3-dimethylquinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(C)c(C)nc2c1
InChIInChI=1S/C12H12N2O2/c1-7-8(2)14-11-6-9(12(15)16-3)4-5-10(11)13-7/h4-6H,1-3H3
InChIKeyWZDDLQPHCCROKD-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.03
Rot. Bonds1

About methyl 2,3-dimethylquinoxaline-6-carboxylate

methyl 2,3-dimethylquinoxaline-6-carboxylate (PubChem CID 2826629) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is methyl 2,3-dimethylquinoxaline-6-carboxylate.

Molecular Properties

Compound Namemethyl 2,3-dimethylquinoxaline-6-carboxylate
PubChem CID2826629
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Namemethyl 2,3-dimethylquinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(C)c(C)nc2c1
InChIInChI=1S/C12H12N2O2/c1-7-8(2)14-11-6-9(12(15)16-3)4-5-10(11)13-7/h4-6H,1-3H3
InChIKeyWZDDLQPHCCROKD-UHFFFAOYSA-N
XLogP2.03
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2,3-dimethylquinoxaline-6-carboxylate?
The IUPAC name of methyl 2,3-dimethylquinoxaline-6-carboxylate (CID 2826629) is methyl 2,3-dimethylquinoxaline-6-carboxylate.
What is the SMILES notation for methyl 2,3-dimethylquinoxaline-6-carboxylate?
The canonical SMILES for methyl 2,3-dimethylquinoxaline-6-carboxylate is COC(=O)c1ccc2nc(C)c(C)nc2c1.
What is the InChIKey of methyl 2,3-dimethylquinoxaline-6-carboxylate?
The InChIKey is WZDDLQPHCCROKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-7-8(2)14-11-6-9(12(15)16-3)4-5-10(11)13-7/h4-6H,1-3H3.
What are the key properties of methyl 2,3-dimethylquinoxaline-6-carboxylate?
methyl 2,3-dimethylquinoxaline-6-carboxylate has a molecular weight of 216.24 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-dimethylquinoxaline-6-carboxylate is sourced from PubChem (CID 2826629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).