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

C19H17FN2O4 — CID 66914794

IUPACethyl 8-(2-fluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylate
SMILESCCOC(=O)c1ccc(-c2cc(OC)cc(OC)c2F)c2nccnc12
InChIInChI=1S/C19H17FN2O4/c1-4-26-19(23)13-6-5-12(17-18(13)22-8-7-21-17)14-9-11(24-2)10-15(25-3)16(14)20/h5-10H,4H2,1-3H3
InChIKeyHMUSHPALRRIEGS-UHFFFAOYSA-N
MW356.35 g/mol
LogP3.63
Rot. Bonds5

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

ethyl 8-(2-fluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylate (PubChem CID 66914794) has the molecular formula C19H17FN2O4 and a molecular weight of 356.35 g/mol. Its IUPAC name is ethyl 8-(2-fluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylate.

Molecular Properties

Compound Nameethyl 8-(2-fluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylate
PubChem CID66914794
Molecular FormulaC19H17FN2O4
Molecular Weight356.35 g/mol
Exact Mass356.12
IUPAC Nameethyl 8-(2-fluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylate
SMILESCCOC(=O)c1ccc(-c2cc(OC)cc(OC)c2F)c2nccnc12
InChIInChI=1S/C19H17FN2O4/c1-4-26-19(23)13-6-5-12(17-18(13)22-8-7-21-17)14-9-11(24-2)10-15(25-3)16(14)20/h5-10H,4H2,1-3H3
InChIKeyHMUSHPALRRIEGS-UHFFFAOYSA-N
XLogP3.63
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-(2-fluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylate?
The IUPAC name of ethyl 8-(2-fluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylate (CID 66914794) is ethyl 8-(2-fluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylate.
What is the SMILES notation for ethyl 8-(2-fluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylate?
The canonical SMILES for ethyl 8-(2-fluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylate is CCOC(=O)c1ccc(-c2cc(OC)cc(OC)c2F)c2nccnc12.
What is the InChIKey of ethyl 8-(2-fluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylate?
The InChIKey is HMUSHPALRRIEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4/c1-4-26-19(23)13-6-5-12(17-18(13)22-8-7-21-17)14-9-11(24-2)10-15(25-3)16(14)20/h5-10H,4H2,1-3H3.
What are the key properties of ethyl 8-(2-fluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylate?
ethyl 8-(2-fluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylate has a molecular weight of 356.35 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-(2-fluoro-3,5-dimethoxyphenyl)quinoxaline-5-carboxylate is sourced from PubChem (CID 66914794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).