ethyl 8-fluoro-4-oxo-1H-quinoline-3-carboxylate

C12H10FNO3 — CID 707160

IUPACethyl 8-fluoro-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(F)cccc2c1=O
InChIInChI=1S/C12H10FNO3/c1-2-17-12(16)8-6-14-10-7(11(8)15)4-3-5-9(10)13/h3-6H,2H2,1H3,(H,14,15)
InChIKeyMPUYCZQHTGRPNE-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.84
Rot. Bonds2

About ethyl 8-fluoro-4-oxo-1H-quinoline-3-carboxylate

ethyl 8-fluoro-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 707160) has the molecular formula C12H10FNO3 and a molecular weight of 235.21 g/mol. Its IUPAC name is ethyl 8-fluoro-4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-fluoro-4-oxo-1H-quinoline-3-carboxylate
PubChem CID707160
Molecular FormulaC12H10FNO3
Molecular Weight235.21 g/mol
Exact Mass235.06
IUPAC Nameethyl 8-fluoro-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(F)cccc2c1=O
InChIInChI=1S/C12H10FNO3/c1-2-17-12(16)8-6-14-10-7(11(8)15)4-3-5-9(10)13/h3-6H,2H2,1H3,(H,14,15)
InChIKeyMPUYCZQHTGRPNE-UHFFFAOYSA-N
XLogP1.84
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-fluoro-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 8-fluoro-4-oxo-1H-quinoline-3-carboxylate (CID 707160) is ethyl 8-fluoro-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 8-fluoro-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 8-fluoro-4-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1c[nH]c2c(F)cccc2c1=O.
What is the InChIKey of ethyl 8-fluoro-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is MPUYCZQHTGRPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3/c1-2-17-12(16)8-6-14-10-7(11(8)15)4-3-5-9(10)13/h3-6H,2H2,1H3,(H,14,15).
What are the key properties of ethyl 8-fluoro-4-oxo-1H-quinoline-3-carboxylate?
ethyl 8-fluoro-4-oxo-1H-quinoline-3-carboxylate has a molecular weight of 235.21 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-fluoro-4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 707160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).