ethyl 8-fluoro-2-(4-hydroxyphenyl)-4-oxoquinoline-1-carboxylate

C18H14FNO4 — CID 66650016

IUPACethyl 8-fluoro-2-(4-hydroxyphenyl)-4-oxoquinoline-1-carboxylate
SMILESCCOC(=O)n1c(-c2ccc(O)cc2)cc(=O)c2cccc(F)c21
InChIInChI=1S/C18H14FNO4/c1-2-24-18(23)20-15(11-6-8-12(21)9-7-11)10-16(22)13-4-3-5-14(19)17(13)20/h3-10,21H,2H2,1H3
InChIKeyXLJZBRZUYJVTJP-UHFFFAOYSA-N
MW327.31 g/mol
LogP3.52
Rot. Bonds2

About ethyl 8-fluoro-2-(4-hydroxyphenyl)-4-oxoquinoline-1-carboxylate

ethyl 8-fluoro-2-(4-hydroxyphenyl)-4-oxoquinoline-1-carboxylate (PubChem CID 66650016) has the molecular formula C18H14FNO4 and a molecular weight of 327.31 g/mol. Its IUPAC name is ethyl 8-fluoro-2-(4-hydroxyphenyl)-4-oxoquinoline-1-carboxylate.

Molecular Properties

Compound Nameethyl 8-fluoro-2-(4-hydroxyphenyl)-4-oxoquinoline-1-carboxylate
PubChem CID66650016
Molecular FormulaC18H14FNO4
Molecular Weight327.31 g/mol
Exact Mass327.09
IUPAC Nameethyl 8-fluoro-2-(4-hydroxyphenyl)-4-oxoquinoline-1-carboxylate
SMILESCCOC(=O)n1c(-c2ccc(O)cc2)cc(=O)c2cccc(F)c21
InChIInChI=1S/C18H14FNO4/c1-2-24-18(23)20-15(11-6-8-12(21)9-7-11)10-16(22)13-4-3-5-14(19)17(13)20/h3-10,21H,2H2,1H3
InChIKeyXLJZBRZUYJVTJP-UHFFFAOYSA-N
XLogP3.52
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-fluoro-2-(4-hydroxyphenyl)-4-oxoquinoline-1-carboxylate?
The IUPAC name of ethyl 8-fluoro-2-(4-hydroxyphenyl)-4-oxoquinoline-1-carboxylate (CID 66650016) is ethyl 8-fluoro-2-(4-hydroxyphenyl)-4-oxoquinoline-1-carboxylate.
What is the SMILES notation for ethyl 8-fluoro-2-(4-hydroxyphenyl)-4-oxoquinoline-1-carboxylate?
The canonical SMILES for ethyl 8-fluoro-2-(4-hydroxyphenyl)-4-oxoquinoline-1-carboxylate is CCOC(=O)n1c(-c2ccc(O)cc2)cc(=O)c2cccc(F)c21.
What is the InChIKey of ethyl 8-fluoro-2-(4-hydroxyphenyl)-4-oxoquinoline-1-carboxylate?
The InChIKey is XLJZBRZUYJVTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO4/c1-2-24-18(23)20-15(11-6-8-12(21)9-7-11)10-16(22)13-4-3-5-14(19)17(13)20/h3-10,21H,2H2,1H3.
What are the key properties of ethyl 8-fluoro-2-(4-hydroxyphenyl)-4-oxoquinoline-1-carboxylate?
ethyl 8-fluoro-2-(4-hydroxyphenyl)-4-oxoquinoline-1-carboxylate has a molecular weight of 327.31 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-fluoro-2-(4-hydroxyphenyl)-4-oxoquinoline-1-carboxylate is sourced from PubChem (CID 66650016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).