ethyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate

C12H10FNO3 — CID 22425219

IUPACethyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c2cc(F)ccc2[nH]1
InChIInChI=1S/C12H10FNO3/c1-2-17-12(16)10-6-11(15)8-5-7(13)3-4-9(8)14-10/h3-6H,2H2,1H3,(H,14,15)
InChIKeyDEPYDFBYFAIPPA-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.84
Rot. Bonds2

About ethyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate

ethyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate (PubChem CID 22425219) has the molecular formula C12H10FNO3 and a molecular weight of 235.21 g/mol. Its IUPAC name is ethyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate
PubChem CID22425219
Molecular FormulaC12H10FNO3
Molecular Weight235.21 g/mol
Exact Mass235.06
IUPAC Nameethyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c2cc(F)ccc2[nH]1
InChIInChI=1S/C12H10FNO3/c1-2-17-12(16)10-6-11(15)8-5-7(13)3-4-9(8)14-10/h3-6H,2H2,1H3,(H,14,15)
InChIKeyDEPYDFBYFAIPPA-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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Related Compounds

2-chloroethyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate
CID 11414541
diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate
CID 12643444
ethyl 2-(6-fluoro-4-oxo-1H-quinolin-2-yl)acetate
CID 23992270
ethyl 6-(cyanomethyl)-4-oxo-1H-quinoline-2-carboxylate
CID 117060106
ethyl 5-(4-fluorophenoxy)-1H-indole-2-carboxylate
CID 172554681
ethyl 3-ethyl-5-fluoro-1H-indole-2-carboxylate
CID 18986264
2-O-ethyl 3-O-methyl 5-fluoro-1H-indole-2,3-dicarboxylate
CID 138980470
ethyl 3-(3-ethoxy-3-oxoprop-1-en-2-yl)-5-fluoro-1H-indole-2-carboxylate
CID 18780544
ethyl 7-fluoro-1-methyl-3-oxo-4H-quinoxalin-1-ium-2-carboxylate
CID 91191973
ethyl 7-fluoro-2-oxo-1H-quinoline-4-carboxylate
CID 162422252
ethyl 4-formyl-5-hydroxy-1H-indole-2-carboxylate
CID 11064318
1-[(6-fluoro-4-oxo-1H-quinoline-2-carbonyl)amino]-3-methylthiourea
CID 71517101

Frequently Asked Questions

What is the IUPAC name of ethyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate?
The IUPAC name of ethyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate (CID 22425219) is ethyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate.
What is the SMILES notation for ethyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate?
The canonical SMILES for ethyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate is CCOC(=O)c1cc(=O)c2cc(F)ccc2[nH]1.
What is the InChIKey of ethyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate?
The InChIKey is DEPYDFBYFAIPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3/c1-2-17-12(16)10-6-11(15)8-5-7(13)3-4-9(8)14-10/h3-6H,2H2,1H3,(H,14,15).
What are the key properties of ethyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate?
ethyl 6-fluoro-4-oxo-1H-quinoline-2-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-4-oxo-1H-quinoline-2-carboxylate is sourced from PubChem (CID 22425219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).