ethyl 3-chloro-2-(4-fluorophenyl)quinoxaline-6-carboxylate

C17H12ClFN2O2 — CID 118453892

IUPACethyl 3-chloro-2-(4-fluorophenyl)quinoxaline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(-c3ccc(F)cc3)c(Cl)nc2c1
InChIInChI=1S/C17H12ClFN2O2/c1-2-23-17(22)11-5-8-13-14(9-11)21-16(18)15(20-13)10-3-6-12(19)7-4-10/h3-9H,2H2,1H3
InChIKeySVQGVPPBKSJDPV-UHFFFAOYSA-N
MW330.75 g/mol
LogP4.27
Rot. Bonds3

About ethyl 3-chloro-2-(4-fluorophenyl)quinoxaline-6-carboxylate

ethyl 3-chloro-2-(4-fluorophenyl)quinoxaline-6-carboxylate (PubChem CID 118453892) has the molecular formula C17H12ClFN2O2 and a molecular weight of 330.75 g/mol. Its IUPAC name is ethyl 3-chloro-2-(4-fluorophenyl)quinoxaline-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-chloro-2-(4-fluorophenyl)quinoxaline-6-carboxylate
PubChem CID118453892
Molecular FormulaC17H12ClFN2O2
Molecular Weight330.75 g/mol
Exact Mass330.06
IUPAC Nameethyl 3-chloro-2-(4-fluorophenyl)quinoxaline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(-c3ccc(F)cc3)c(Cl)nc2c1
InChIInChI=1S/C17H12ClFN2O2/c1-2-23-17(22)11-5-8-13-14(9-11)21-16(18)15(20-13)10-3-6-12(19)7-4-10/h3-9H,2H2,1H3
InChIKeySVQGVPPBKSJDPV-UHFFFAOYSA-N
XLogP4.27
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.75
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-chloro-2-(4-fluorophenyl)quinoxaline-6-carboxylate?
The IUPAC name of ethyl 3-chloro-2-(4-fluorophenyl)quinoxaline-6-carboxylate (CID 118453892) is ethyl 3-chloro-2-(4-fluorophenyl)quinoxaline-6-carboxylate.
What is the SMILES notation for ethyl 3-chloro-2-(4-fluorophenyl)quinoxaline-6-carboxylate?
The canonical SMILES for ethyl 3-chloro-2-(4-fluorophenyl)quinoxaline-6-carboxylate is CCOC(=O)c1ccc2nc(-c3ccc(F)cc3)c(Cl)nc2c1.
What is the InChIKey of ethyl 3-chloro-2-(4-fluorophenyl)quinoxaline-6-carboxylate?
The InChIKey is SVQGVPPBKSJDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O2/c1-2-23-17(22)11-5-8-13-14(9-11)21-16(18)15(20-13)10-3-6-12(19)7-4-10/h3-9H,2H2,1H3.
What are the key properties of ethyl 3-chloro-2-(4-fluorophenyl)quinoxaline-6-carboxylate?
ethyl 3-chloro-2-(4-fluorophenyl)quinoxaline-6-carboxylate has a molecular weight of 330.75 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-chloro-2-(4-fluorophenyl)quinoxaline-6-carboxylate is sourced from PubChem (CID 118453892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).