2-O-ethyl 5-O-methyl 8-fluoro-4-oxo-1H-quinoline-2,5-dicarboxylate

C14H12FNO5 — CID 58959693

IUPAC2-O-ethyl 5-O-methyl 8-fluoro-4-oxo-1H-quinoline-2,5-dicarboxylate
SMILESCCOC(=O)c1cc(=O)c2c(C(=O)OC)ccc(F)c2[nH]1
InChIInChI=1S/C14H12FNO5/c1-3-21-14(19)9-6-10(17)11-7(13(18)20-2)4-5-8(15)12(11)16-9/h4-6H,3H2,1-2H3,(H,16,17)
InChIKeyUFYXNCYHWXLFSD-UHFFFAOYSA-N
MW293.25 g/mol
LogP1.63
Rot. Bonds3

About 2-O-ethyl 5-O-methyl 8-fluoro-4-oxo-1H-quinoline-2,5-dicarboxylate

2-O-ethyl 5-O-methyl 8-fluoro-4-oxo-1H-quinoline-2,5-dicarboxylate (PubChem CID 58959693) has the molecular formula C14H12FNO5 and a molecular weight of 293.25 g/mol. Its IUPAC name is 2-O-ethyl 5-O-methyl 8-fluoro-4-oxo-1H-quinoline-2,5-dicarboxylate.

Molecular Properties

Compound Name2-O-ethyl 5-O-methyl 8-fluoro-4-oxo-1H-quinoline-2,5-dicarboxylate
PubChem CID58959693
Molecular FormulaC14H12FNO5
Molecular Weight293.25 g/mol
Exact Mass293.07
IUPAC Name2-O-ethyl 5-O-methyl 8-fluoro-4-oxo-1H-quinoline-2,5-dicarboxylate
SMILESCCOC(=O)c1cc(=O)c2c(C(=O)OC)ccc(F)c2[nH]1
InChIInChI=1S/C14H12FNO5/c1-3-21-14(19)9-6-10(17)11-7(13(18)20-2)4-5-8(15)12(11)16-9/h4-6H,3H2,1-2H3,(H,16,17)
InChIKeyUFYXNCYHWXLFSD-UHFFFAOYSA-N
XLogP1.63
TPSA85.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-O-ethyl 5-O-methyl 8-fluoro-4-oxo-1H-quinoline-2,5-dicarboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 5-chloro-8-fluoro-4-oxo-1H-quinoline-2-carboxylate
CID 63376397
ethyl 1,2,5-trimethyl-9-oxo-3,6-dihydropyrrolo[3,2-f]quinoline-7-carboxylate
CID 91735958
ethyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate
CID 22425219
ethyl 7-fluoro-5-methoxy-1H-indole-2-carboxylate
CID 168946890
methyl 8-(2,4-dichlorophenyl)-2-methyl-4-oxo-1H-quinoline-5-carboxylate
CID 68841187
methyl 5-methoxy-8-methyl-4-oxo-1H-quinoline-2-carboxylate
CID 114252907
methyl 5-fluoro-4-oxo-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinoline-2-carboxylate
CID 75486632
ethyl 7-chloro-5-ethyl-4-oxo-1H-quinoline-2-carboxylate
CID 19735198
5-methoxycarbonyl-4-oxo-1H-quinoline-2-carboxylic acid
CID 66595028
ethyl 4-oxo-5-propan-2-yl-1H-quinoline-2-carboxylate
CID 19735183
diethyl 7-thia-3,11-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4,10-dicarboxylate
CID 11558576
ethyl 4-oxo-1H-[1]benzothiolo[3,2-b]pyridine-2-carboxylate
CID 10564172

Frequently Asked Questions

What is the IUPAC name of 2-O-ethyl 5-O-methyl 8-fluoro-4-oxo-1H-quinoline-2,5-dicarboxylate?
The IUPAC name of 2-O-ethyl 5-O-methyl 8-fluoro-4-oxo-1H-quinoline-2,5-dicarboxylate (CID 58959693) is 2-O-ethyl 5-O-methyl 8-fluoro-4-oxo-1H-quinoline-2,5-dicarboxylate.
What is the SMILES notation for 2-O-ethyl 5-O-methyl 8-fluoro-4-oxo-1H-quinoline-2,5-dicarboxylate?
The canonical SMILES for 2-O-ethyl 5-O-methyl 8-fluoro-4-oxo-1H-quinoline-2,5-dicarboxylate is CCOC(=O)c1cc(=O)c2c(C(=O)OC)ccc(F)c2[nH]1.
What is the InChIKey of 2-O-ethyl 5-O-methyl 8-fluoro-4-oxo-1H-quinoline-2,5-dicarboxylate?
The InChIKey is UFYXNCYHWXLFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO5/c1-3-21-14(19)9-6-10(17)11-7(13(18)20-2)4-5-8(15)12(11)16-9/h4-6H,3H2,1-2H3,(H,16,17).
What are the key properties of 2-O-ethyl 5-O-methyl 8-fluoro-4-oxo-1H-quinoline-2,5-dicarboxylate?
2-O-ethyl 5-O-methyl 8-fluoro-4-oxo-1H-quinoline-2,5-dicarboxylate has a molecular weight of 293.25 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-ethyl 5-O-methyl 8-fluoro-4-oxo-1H-quinoline-2,5-dicarboxylate is sourced from PubChem (CID 58959693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).