ethyl 6-fluoro-4-oxo-7-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-1H-1,8-naphthyridine-3-carboxylate

C17H16F4N4O4 — CID 20519045

IUPACethyl 6-fluoro-4-oxo-7-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-1H-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2nc(N3CCN(C(=O)C(F)(F)F)CC3)c(F)cc2c1=O
InChIInChI=1S/C17H16F4N4O4/c1-2-29-15(27)10-8-22-13-9(12(10)26)7-11(18)14(23-13)24-3-5-25(6-4-24)16(28)17(19,20)21/h7-8H,2-6H2,1H3,(H,22,23,26)
InChIKeyQQSWUPHTEYPMCA-UHFFFAOYSA-N
MW416.33 g/mol
LogP1.45
Rot. Bonds3

About ethyl 6-fluoro-4-oxo-7-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-1H-1,8-naphthyridine-3-carboxylate

ethyl 6-fluoro-4-oxo-7-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-1H-1,8-naphthyridine-3-carboxylate (PubChem CID 20519045) has the molecular formula C17H16F4N4O4 and a molecular weight of 416.33 g/mol. Its IUPAC name is ethyl 6-fluoro-4-oxo-7-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-1H-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-fluoro-4-oxo-7-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-1H-1,8-naphthyridine-3-carboxylate
PubChem CID20519045
Molecular FormulaC17H16F4N4O4
Molecular Weight416.33 g/mol
Exact Mass416.11
IUPAC Nameethyl 6-fluoro-4-oxo-7-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-1H-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2nc(N3CCN(C(=O)C(F)(F)F)CC3)c(F)cc2c1=O
InChIInChI=1S/C17H16F4N4O4/c1-2-29-15(27)10-8-22-13-9(12(10)26)7-11(18)14(23-13)24-3-5-25(6-4-24)16(28)17(19,20)21/h7-8H,2-6H2,1H3,(H,22,23,26)
InChIKeyQQSWUPHTEYPMCA-UHFFFAOYSA-N
XLogP1.45
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 6-fluoro-4-oxo-7-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-1H-1,8-naphthyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 6-fluoro-4-oxo-7-[3-(1-phenylethylamino)pyrrolidin-1-yl]-1H-1,8-naphthyridine-3-carboxylate
CID 67274860
7-[(3R)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
CID 10017205
7-[(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
CID 102504450
7-[3-[[[1-(ethoxymethyl)cyclopropyl]amino]methyl]azetidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
CID 146345517
ethyl 6-fluoro-7-methyl-4-oxo-1H-quinoline-3-carboxylate
CID 12733854
ethyl 7-methyl-4-oxo-6-propoxy-1H-1,8-naphthyridine-3-carboxylate
CID 19374300
7-(4-ethoxycarbonylpiperazin-1-yl)-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
CID 70550478
CID 163919531
CID 163919531
ethyl 2-chloro-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 54316935
ethyl 6-ethoxy-4-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 19374333
ethyl 1-cyclohexyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate
CID 46947192
7-[3-[(3-amino-3-oxopropyl)amino]pyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
CID 67274806

Frequently Asked Questions

What is the IUPAC name of ethyl 6-fluoro-4-oxo-7-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-1H-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 6-fluoro-4-oxo-7-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-1H-1,8-naphthyridine-3-carboxylate (CID 20519045) is ethyl 6-fluoro-4-oxo-7-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-1H-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-fluoro-4-oxo-7-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-1H-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 6-fluoro-4-oxo-7-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-1H-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1c[nH]c2nc(N3CCN(C(=O)C(F)(F)F)CC3)c(F)cc2c1=O.
What is the InChIKey of ethyl 6-fluoro-4-oxo-7-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-1H-1,8-naphthyridine-3-carboxylate?
The InChIKey is QQSWUPHTEYPMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4N4O4/c1-2-29-15(27)10-8-22-13-9(12(10)26)7-11(18)14(23-13)24-3-5-25(6-4-24)16(28)17(19,20)21/h7-8H,2-6H2,1H3,(H,22,23,26).
What are the key properties of ethyl 6-fluoro-4-oxo-7-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-1H-1,8-naphthyridine-3-carboxylate?
ethyl 6-fluoro-4-oxo-7-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-1H-1,8-naphthyridine-3-carboxylate has a molecular weight of 416.33 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-fluoro-4-oxo-7-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-1H-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 20519045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).