ethyl 8-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate

C14H11FN2O3 — CID 15605221

IUPACethyl 8-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc(F)cc3c12
InChIInChI=1S/C14H11FN2O3/c1-2-20-14(19)9-6-16-12-11(9)8-5-7(15)3-4-10(8)17-13(12)18/h3-6,16H,2H2,1H3,(H,17,18)
InChIKeyQSUCLQBBKJSTAQ-UHFFFAOYSA-N
MW274.25 g/mol
LogP2.33
Rot. Bonds2

About ethyl 8-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate

ethyl 8-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate (PubChem CID 15605221) has the molecular formula C14H11FN2O3 and a molecular weight of 274.25 g/mol. Its IUPAC name is ethyl 8-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate.

Molecular Properties

Compound Nameethyl 8-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
PubChem CID15605221
Molecular FormulaC14H11FN2O3
Molecular Weight274.25 g/mol
Exact Mass274.08
IUPAC Nameethyl 8-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc(F)cc3c12
InChIInChI=1S/C14H11FN2O3/c1-2-20-14(19)9-6-16-12-11(9)8-5-7(15)3-4-10(8)17-13(12)18/h3-6,16H,2H2,1H3,(H,17,18)
InChIKeyQSUCLQBBKJSTAQ-UHFFFAOYSA-N
XLogP2.33
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
The IUPAC name of ethyl 8-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate (CID 15605221) is ethyl 8-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate.
What is the SMILES notation for ethyl 8-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
The canonical SMILES for ethyl 8-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate is CCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc(F)cc3c12.
What is the InChIKey of ethyl 8-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
The InChIKey is QSUCLQBBKJSTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3/c1-2-20-14(19)9-6-16-12-11(9)8-5-7(15)3-4-10(8)17-13(12)18/h3-6,16H,2H2,1H3,(H,17,18).
What are the key properties of ethyl 8-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate?
ethyl 8-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate has a molecular weight of 274.25 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-fluoro-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylate is sourced from PubChem (CID 15605221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).