ethyl 8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylate

C19H16F2N2O4 — CID 86641145

IUPACethyl 8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylate
SMILESCCOC(=O)c1ccc(-c2c(F)c(OC)cc(OC)c2F)c2nccnc12
InChIInChI=1S/C19H16F2N2O4/c1-4-27-19(24)11-6-5-10(17-18(11)23-8-7-22-17)14-15(20)12(25-2)9-13(26-3)16(14)21/h5-9H,4H2,1-3H3
InChIKeyCFQBCIVTEKWLGC-UHFFFAOYSA-N
MW374.34 g/mol
LogP3.77
Rot. Bonds5

About ethyl 8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylate

ethyl 8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylate (PubChem CID 86641145) has the molecular formula C19H16F2N2O4 and a molecular weight of 374.34 g/mol. Its IUPAC name is ethyl 8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylate.

Molecular Properties

Compound Nameethyl 8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylate
PubChem CID86641145
Molecular FormulaC19H16F2N2O4
Molecular Weight374.34 g/mol
Exact Mass374.11
IUPAC Nameethyl 8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylate
SMILESCCOC(=O)c1ccc(-c2c(F)c(OC)cc(OC)c2F)c2nccnc12
InChIInChI=1S/C19H16F2N2O4/c1-4-27-19(24)11-6-5-10(17-18(11)23-8-7-22-17)14-15(20)12(25-2)9-13(26-3)16(14)21/h5-9H,4H2,1-3H3
InChIKeyCFQBCIVTEKWLGC-UHFFFAOYSA-N
XLogP3.77
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylate?
The IUPAC name of ethyl 8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylate (CID 86641145) is ethyl 8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylate.
What is the SMILES notation for ethyl 8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylate?
The canonical SMILES for ethyl 8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylate is CCOC(=O)c1ccc(-c2c(F)c(OC)cc(OC)c2F)c2nccnc12.
What is the InChIKey of ethyl 8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylate?
The InChIKey is CFQBCIVTEKWLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O4/c1-4-27-19(24)11-6-5-10(17-18(11)23-8-7-22-17)14-15(20)12(25-2)9-13(26-3)16(14)21/h5-9H,4H2,1-3H3.
What are the key properties of ethyl 8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylate?
ethyl 8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylate has a molecular weight of 374.34 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylate is sourced from PubChem (CID 86641145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).