ethyl 2-(6,8-dichloro-2-oxoquinoxalin-1-yl)acetate

C12H10Cl2N2O3 — CID 19808448

IUPACethyl 2-(6,8-dichloro-2-oxoquinoxalin-1-yl)acetate
SMILESCCOC(=O)Cn1c(=O)cnc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C12H10Cl2N2O3/c1-2-19-11(18)6-16-10(17)5-15-9-4-7(13)3-8(14)12(9)16/h3-5H,2,6H2,1H3
InChIKeyWMCGDKLQARTVJW-UHFFFAOYSA-N
MW301.13 g/mol
LogP2.27
Rot. Bonds3

About ethyl 2-(6,8-dichloro-2-oxoquinoxalin-1-yl)acetate

ethyl 2-(6,8-dichloro-2-oxoquinoxalin-1-yl)acetate (PubChem CID 19808448) has the molecular formula C12H10Cl2N2O3 and a molecular weight of 301.13 g/mol. Its IUPAC name is ethyl 2-(6,8-dichloro-2-oxoquinoxalin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6,8-dichloro-2-oxoquinoxalin-1-yl)acetate
PubChem CID19808448
Molecular FormulaC12H10Cl2N2O3
Molecular Weight301.13 g/mol
Exact Mass300.01
IUPAC Nameethyl 2-(6,8-dichloro-2-oxoquinoxalin-1-yl)acetate
SMILESCCOC(=O)Cn1c(=O)cnc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C12H10Cl2N2O3/c1-2-19-11(18)6-16-10(17)5-15-9-4-7(13)3-8(14)12(9)16/h3-5H,2,6H2,1H3
InChIKeyWMCGDKLQARTVJW-UHFFFAOYSA-N
XLogP2.27
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6,8-dichloro-2-oxoquinoxalin-1-yl)acetate?
The IUPAC name of ethyl 2-(6,8-dichloro-2-oxoquinoxalin-1-yl)acetate (CID 19808448) is ethyl 2-(6,8-dichloro-2-oxoquinoxalin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(6,8-dichloro-2-oxoquinoxalin-1-yl)acetate?
The canonical SMILES for ethyl 2-(6,8-dichloro-2-oxoquinoxalin-1-yl)acetate is CCOC(=O)Cn1c(=O)cnc2cc(Cl)cc(Cl)c21.
What is the InChIKey of ethyl 2-(6,8-dichloro-2-oxoquinoxalin-1-yl)acetate?
The InChIKey is WMCGDKLQARTVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O3/c1-2-19-11(18)6-16-10(17)5-15-9-4-7(13)3-8(14)12(9)16/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 2-(6,8-dichloro-2-oxoquinoxalin-1-yl)acetate?
ethyl 2-(6,8-dichloro-2-oxoquinoxalin-1-yl)acetate has a molecular weight of 301.13 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6,8-dichloro-2-oxoquinoxalin-1-yl)acetate is sourced from PubChem (CID 19808448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).