ethyl 6,7-dichloro-3-oxo-2,4-dihydroquinoxaline-1-carboxylate

C11H10Cl2N2O3 — CID 70574945

IUPACethyl 6,7-dichloro-3-oxo-2,4-dihydroquinoxaline-1-carboxylate
SMILESCCOC(=O)N1CC(=O)Nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C11H10Cl2N2O3/c1-2-18-11(17)15-5-10(16)14-8-3-6(12)7(13)4-9(8)15/h3-4H,2,5H2,1H3,(H,14,16)
InChIKeyCUSYKCGSYPSOKY-UHFFFAOYSA-N
MW289.12 g/mol
LogP2.91
Rot. Bonds1

About ethyl 6,7-dichloro-3-oxo-2,4-dihydroquinoxaline-1-carboxylate

ethyl 6,7-dichloro-3-oxo-2,4-dihydroquinoxaline-1-carboxylate (PubChem CID 70574945) has the molecular formula C11H10Cl2N2O3 and a molecular weight of 289.12 g/mol. Its IUPAC name is ethyl 6,7-dichloro-3-oxo-2,4-dihydroquinoxaline-1-carboxylate.

Molecular Properties

Compound Nameethyl 6,7-dichloro-3-oxo-2,4-dihydroquinoxaline-1-carboxylate
PubChem CID70574945
Molecular FormulaC11H10Cl2N2O3
Molecular Weight289.12 g/mol
Exact Mass288.01
IUPAC Nameethyl 6,7-dichloro-3-oxo-2,4-dihydroquinoxaline-1-carboxylate
SMILESCCOC(=O)N1CC(=O)Nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C11H10Cl2N2O3/c1-2-18-11(17)15-5-10(16)14-8-3-6(12)7(13)4-9(8)15/h3-4H,2,5H2,1H3,(H,14,16)
InChIKeyCUSYKCGSYPSOKY-UHFFFAOYSA-N
XLogP2.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 6,7-dichloro-3-oxo-2,4-dihydroquinoxaline-1-carboxylate?
The IUPAC name of ethyl 6,7-dichloro-3-oxo-2,4-dihydroquinoxaline-1-carboxylate (CID 70574945) is ethyl 6,7-dichloro-3-oxo-2,4-dihydroquinoxaline-1-carboxylate.
What is the SMILES notation for ethyl 6,7-dichloro-3-oxo-2,4-dihydroquinoxaline-1-carboxylate?
The canonical SMILES for ethyl 6,7-dichloro-3-oxo-2,4-dihydroquinoxaline-1-carboxylate is CCOC(=O)N1CC(=O)Nc2cc(Cl)c(Cl)cc21.
What is the InChIKey of ethyl 6,7-dichloro-3-oxo-2,4-dihydroquinoxaline-1-carboxylate?
The InChIKey is CUSYKCGSYPSOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O3/c1-2-18-11(17)15-5-10(16)14-8-3-6(12)7(13)4-9(8)15/h3-4H,2,5H2,1H3,(H,14,16).
What are the key properties of ethyl 6,7-dichloro-3-oxo-2,4-dihydroquinoxaline-1-carboxylate?
ethyl 6,7-dichloro-3-oxo-2,4-dihydroquinoxaline-1-carboxylate has a molecular weight of 289.12 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,7-dichloro-3-oxo-2,4-dihydroquinoxaline-1-carboxylate is sourced from PubChem (CID 70574945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).