ethyl 3-methoxyquinoxaline-6-carboxylate

C12H12N2O3 — CID 89443102

IUPACethyl 3-methoxyquinoxaline-6-carboxylate
SMILESCCOC(=O)c1ccc2ncc(OC)nc2c1
InChIInChI=1S/C12H12N2O3/c1-3-17-12(15)8-4-5-9-10(6-8)14-11(16-2)7-13-9/h4-7H,3H2,1-2H3
InChIKeyIBTWEHVRTMVTGB-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.82
Rot. Bonds3

About ethyl 3-methoxyquinoxaline-6-carboxylate

ethyl 3-methoxyquinoxaline-6-carboxylate (PubChem CID 89443102) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is ethyl 3-methoxyquinoxaline-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-methoxyquinoxaline-6-carboxylate
PubChem CID89443102
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Nameethyl 3-methoxyquinoxaline-6-carboxylate
SMILESCCOC(=O)c1ccc2ncc(OC)nc2c1
InChIInChI=1S/C12H12N2O3/c1-3-17-12(15)8-4-5-9-10(6-8)14-11(16-2)7-13-9/h4-7H,3H2,1-2H3
InChIKeyIBTWEHVRTMVTGB-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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Related Compounds

ethyl 2-(2-methoxyquinoxalin-6-yl)-2-oxoacetate
CID 117404362
ethyl 1,2-dihydroxycyclobuta[b]quinoxaline-5-carboxylate
CID 135479169
ethyl 2-(4-methylphenyl)quinoxaline-6-carboxylate
CID 175538196
ethyl 3-cyclopropylquinoline-6-carboxylate
CID 139487727
ethyl 4-methoxy-2-methylquinoline-6-carboxylate
CID 23877743
diethyl 4-aminoquinoline-3,6-dicarboxylate
CID 17028175
ethyl 4-amino-3-(6-methoxy-3-pyridinyl)benzoate
CID 121271500
ethyl 2-(3-methoxyphenyl)quinazoline-6-carboxylate
CID 139986038
ethyl 7-methoxyquinoline-3-carboxylate;hydrochloride
CID 22326874
ethyl 4-(6,7-dimethoxyquinolin-3-yl)benzoate
CID 10042684
ethyl 2-ethylquinoline-6-carboxylate
CID 142697026
ethyl 2-chloroquinoline-7-carboxylate
CID 72942632

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methoxyquinoxaline-6-carboxylate?
The IUPAC name of ethyl 3-methoxyquinoxaline-6-carboxylate (CID 89443102) is ethyl 3-methoxyquinoxaline-6-carboxylate.
What is the SMILES notation for ethyl 3-methoxyquinoxaline-6-carboxylate?
The canonical SMILES for ethyl 3-methoxyquinoxaline-6-carboxylate is CCOC(=O)c1ccc2ncc(OC)nc2c1.
What is the InChIKey of ethyl 3-methoxyquinoxaline-6-carboxylate?
The InChIKey is IBTWEHVRTMVTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-3-17-12(15)8-4-5-9-10(6-8)14-11(16-2)7-13-9/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 3-methoxyquinoxaline-6-carboxylate?
ethyl 3-methoxyquinoxaline-6-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 ethyl 3-methoxyquinoxaline-6-carboxylate is sourced from PubChem (CID 89443102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).