methyl 3-ethoxyquinoxaline-5-carboxylate

C12H12N2O3 — CID 142784976

IUPACmethyl 3-ethoxyquinoxaline-5-carboxylate
SMILESCCOc1cnc2cccc(C(=O)OC)c2n1
InChIInChI=1S/C12H12N2O3/c1-3-17-10-7-13-9-6-4-5-8(11(9)14-10)12(15)16-2/h4-7H,3H2,1-2H3
InChIKeyNMJFIZMSOPLHFH-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.82
Rot. Bonds3

About methyl 3-ethoxyquinoxaline-5-carboxylate

methyl 3-ethoxyquinoxaline-5-carboxylate (PubChem CID 142784976) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is methyl 3-ethoxyquinoxaline-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-ethoxyquinoxaline-5-carboxylate
PubChem CID142784976
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Namemethyl 3-ethoxyquinoxaline-5-carboxylate
SMILESCCOc1cnc2cccc(C(=O)OC)c2n1
InChIInChI=1S/C12H12N2O3/c1-3-17-10-7-13-9-6-4-5-8(11(9)14-10)12(15)16-2/h4-7H,3H2,1-2H3
InChIKeyNMJFIZMSOPLHFH-UHFFFAOYSA-N
XLogP1.82
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-ethoxyquinoxaline-5-carboxylate?
The IUPAC name of methyl 3-ethoxyquinoxaline-5-carboxylate (CID 142784976) is methyl 3-ethoxyquinoxaline-5-carboxylate.
What is the SMILES notation for methyl 3-ethoxyquinoxaline-5-carboxylate?
The canonical SMILES for methyl 3-ethoxyquinoxaline-5-carboxylate is CCOc1cnc2cccc(C(=O)OC)c2n1.
What is the InChIKey of methyl 3-ethoxyquinoxaline-5-carboxylate?
The InChIKey is NMJFIZMSOPLHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-3-17-10-7-13-9-6-4-5-8(11(9)14-10)12(15)16-2/h4-7H,3H2,1-2H3.
What are the key properties of methyl 3-ethoxyquinoxaline-5-carboxylate?
methyl 3-ethoxyquinoxaline-5-carboxylate has a molecular weight of 232.24 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethoxyquinoxaline-5-carboxylate is sourced from PubChem (CID 142784976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).