ethyl 6-chloropyrrolo[1,2-a]quinoxaline-3-carboxylate

C14H11ClN2O2 — CID 68788329

IUPACethyl 6-chloropyrrolo[1,2-a]quinoxaline-3-carboxylate
SMILESCCOC(=O)c1ccn2c1cnc1c(Cl)cccc12
InChIInChI=1S/C14H11ClN2O2/c1-2-19-14(18)9-6-7-17-11-5-3-4-10(15)13(11)16-8-12(9)17/h3-8H,2H2,1H3
InChIKeyGUOGLBMVSCKCCQ-UHFFFAOYSA-N
MW274.71 g/mol
LogP3.32
Rot. Bonds2

About ethyl 6-chloropyrrolo[1,2-a]quinoxaline-3-carboxylate

ethyl 6-chloropyrrolo[1,2-a]quinoxaline-3-carboxylate (PubChem CID 68788329) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is ethyl 6-chloropyrrolo[1,2-a]quinoxaline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloropyrrolo[1,2-a]quinoxaline-3-carboxylate
PubChem CID68788329
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC Nameethyl 6-chloropyrrolo[1,2-a]quinoxaline-3-carboxylate
SMILESCCOC(=O)c1ccn2c1cnc1c(Cl)cccc12
InChIInChI=1S/C14H11ClN2O2/c1-2-19-14(18)9-6-7-17-11-5-3-4-10(15)13(11)16-8-12(9)17/h3-8H,2H2,1H3
InChIKeyGUOGLBMVSCKCCQ-UHFFFAOYSA-N
XLogP3.32
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloropyrrolo[1,2-a]quinoxaline-3-carboxylate?
The IUPAC name of ethyl 6-chloropyrrolo[1,2-a]quinoxaline-3-carboxylate (CID 68788329) is ethyl 6-chloropyrrolo[1,2-a]quinoxaline-3-carboxylate.
What is the SMILES notation for ethyl 6-chloropyrrolo[1,2-a]quinoxaline-3-carboxylate?
The canonical SMILES for ethyl 6-chloropyrrolo[1,2-a]quinoxaline-3-carboxylate is CCOC(=O)c1ccn2c1cnc1c(Cl)cccc12.
What is the InChIKey of ethyl 6-chloropyrrolo[1,2-a]quinoxaline-3-carboxylate?
The InChIKey is GUOGLBMVSCKCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c1-2-19-14(18)9-6-7-17-11-5-3-4-10(15)13(11)16-8-12(9)17/h3-8H,2H2,1H3.
What are the key properties of ethyl 6-chloropyrrolo[1,2-a]quinoxaline-3-carboxylate?
ethyl 6-chloropyrrolo[1,2-a]quinoxaline-3-carboxylate has a molecular weight of 274.71 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloropyrrolo[1,2-a]quinoxaline-3-carboxylate is sourced from PubChem (CID 68788329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).