6-fluoro-1-(2-fluoroethyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid

C15H16F2N4O3 — CID 3069002

IUPAC6-fluoro-1-(2-fluoroethyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(CCF)c2nc(N3CCNCC3)c(F)cc2c1=O
InChIInChI=1S/C15H16F2N4O3/c16-1-4-21-8-10(15(23)24)12(22)9-7-11(17)14(19-13(9)21)20-5-2-18-3-6-20/h7-8,18H,1-6H2,(H,23,24)
InChIKeyUDVOCWCSFKHVEL-UHFFFAOYSA-N
MW338.31 g/mol
LogP0.61
Rot. Bonds4

About 6-fluoro-1-(2-fluoroethyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid

6-fluoro-1-(2-fluoroethyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid (PubChem CID 3069002) has the molecular formula C15H16F2N4O3 and a molecular weight of 338.31 g/mol. Its IUPAC name is 6-fluoro-1-(2-fluoroethyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-1-(2-fluoroethyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid
PubChem CID3069002
Molecular FormulaC15H16F2N4O3
Molecular Weight338.31 g/mol
Exact Mass338.12
IUPAC Name6-fluoro-1-(2-fluoroethyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(CCF)c2nc(N3CCNCC3)c(F)cc2c1=O
InChIInChI=1S/C15H16F2N4O3/c16-1-4-21-8-10(15(23)24)12(22)9-7-11(17)14(19-13(9)21)20-5-2-18-3-6-20/h7-8,18H,1-6H2,(H,23,24)
InChIKeyUDVOCWCSFKHVEL-UHFFFAOYSA-N
XLogP0.61
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(2-fluoroethyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 6-fluoro-1-(2-fluoroethyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid (CID 3069002) is 6-fluoro-1-(2-fluoroethyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-1-(2-fluoroethyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-fluoro-1-(2-fluoroethyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid is O=C(O)c1cn(CCF)c2nc(N3CCNCC3)c(F)cc2c1=O.
What is the InChIKey of 6-fluoro-1-(2-fluoroethyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is UDVOCWCSFKHVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O3/c16-1-4-21-8-10(15(23)24)12(22)9-7-11(17)14(19-13(9)21)20-5-2-18-3-6-20/h7-8,18H,1-6H2,(H,23,24).
What are the key properties of 6-fluoro-1-(2-fluoroethyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid?
6-fluoro-1-(2-fluoroethyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 338.31 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(2-fluoroethyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 3069002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).