ethyl 6-fluoro-2-oxo-1H-quinoline-3-carboxylate

C12H10FNO3 — CID 53404707

IUPACethyl 6-fluoro-2-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1cc2cc(F)ccc2[nH]c1=O
InChIInChI=1S/C12H10FNO3/c1-2-17-12(16)9-6-7-5-8(13)3-4-10(7)14-11(9)15/h3-6H,2H2,1H3,(H,14,15)
InChIKeyLMLBXTDEJROARE-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.84
Rot. Bonds2

About ethyl 6-fluoro-2-oxo-1H-quinoline-3-carboxylate

ethyl 6-fluoro-2-oxo-1H-quinoline-3-carboxylate (PubChem CID 53404707) has the molecular formula C12H10FNO3 and a molecular weight of 235.21 g/mol. Its IUPAC name is ethyl 6-fluoro-2-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-fluoro-2-oxo-1H-quinoline-3-carboxylate
PubChem CID53404707
Molecular FormulaC12H10FNO3
Molecular Weight235.21 g/mol
Exact Mass235.06
IUPAC Nameethyl 6-fluoro-2-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1cc2cc(F)ccc2[nH]c1=O
InChIInChI=1S/C12H10FNO3/c1-2-17-12(16)9-6-7-5-8(13)3-4-10(7)14-11(9)15/h3-6H,2H2,1H3,(H,14,15)
InChIKeyLMLBXTDEJROARE-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

Analyze ethyl 6-fluoro-2-oxo-1H-quinoline-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 6-fluoro-2-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 6-fluoro-2-oxo-1H-quinoline-3-carboxylate (CID 53404707) is ethyl 6-fluoro-2-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-fluoro-2-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-fluoro-2-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1cc2cc(F)ccc2[nH]c1=O.
What is the InChIKey of ethyl 6-fluoro-2-oxo-1H-quinoline-3-carboxylate?
The InChIKey is LMLBXTDEJROARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3/c1-2-17-12(16)9-6-7-5-8(13)3-4-10(7)14-11(9)15/h3-6H,2H2,1H3,(H,14,15).
What are the key properties of ethyl 6-fluoro-2-oxo-1H-quinoline-3-carboxylate?
ethyl 6-fluoro-2-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 6-fluoro-2-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 53404707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).