ethyl 2-(2-oxoquinoxalin-1-yl)acetate

C12H12N2O3 — CID 3727805

IUPACethyl 2-(2-oxoquinoxalin-1-yl)acetate
SMILESCCOC(=O)Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C12H12N2O3/c1-2-17-12(16)8-14-10-6-4-3-5-9(10)13-7-11(14)15/h3-7H,2,8H2,1H3
InChIKeyNFWMSGZOFCQKCT-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.96
Rot. Bonds3

About ethyl 2-(2-oxoquinoxalin-1-yl)acetate

ethyl 2-(2-oxoquinoxalin-1-yl)acetate (PubChem CID 3727805) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is ethyl 2-(2-oxoquinoxalin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-oxoquinoxalin-1-yl)acetate
PubChem CID3727805
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Nameethyl 2-(2-oxoquinoxalin-1-yl)acetate
SMILESCCOC(=O)Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C12H12N2O3/c1-2-17-12(16)8-14-10-6-4-3-5-9(10)13-7-11(14)15/h3-7H,2,8H2,1H3
InChIKeyNFWMSGZOFCQKCT-UHFFFAOYSA-N
XLogP0.96
TPSA61.19 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 ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-oxoquinoxalin-1-yl)acetate?
The IUPAC name of ethyl 2-(2-oxoquinoxalin-1-yl)acetate (CID 3727805) is ethyl 2-(2-oxoquinoxalin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(2-oxoquinoxalin-1-yl)acetate?
The canonical SMILES for ethyl 2-(2-oxoquinoxalin-1-yl)acetate is CCOC(=O)Cn1c(=O)cnc2ccccc21.
What is the InChIKey of ethyl 2-(2-oxoquinoxalin-1-yl)acetate?
The InChIKey is NFWMSGZOFCQKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-2-17-12(16)8-14-10-6-4-3-5-9(10)13-7-11(14)15/h3-7H,2,8H2,1H3.
What are the key properties of ethyl 2-(2-oxoquinoxalin-1-yl)acetate?
ethyl 2-(2-oxoquinoxalin-1-yl)acetate has a molecular weight of 232.24 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-oxoquinoxalin-1-yl)acetate is sourced from PubChem (CID 3727805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).