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

C16H18F2N4O3 — CID 3069001

IUPAC6-fluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCN1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3CCF)CC1
InChIInChI=1S/C16H18F2N4O3/c1-20-4-6-21(7-5-20)15-12(18)8-10-13(23)11(16(24)25)9-22(3-2-17)14(10)19-15/h8-9H,2-7H2,1H3,(H,24,25)
InChIKeyFQXWRYWIELRCDO-UHFFFAOYSA-N
MW352.34 g/mol
LogP0.96
Rot. Bonds4

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

6-fluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 3069001) has the molecular formula C16H18F2N4O3 and a molecular weight of 352.34 g/mol. Its IUPAC name is 6-fluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID3069001
Molecular FormulaC16H18F2N4O3
Molecular Weight352.34 g/mol
Exact Mass352.13
IUPAC Name6-fluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCN1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3CCF)CC1
InChIInChI=1S/C16H18F2N4O3/c1-20-4-6-21(7-5-20)15-12(18)8-10-13(23)11(16(24)25)9-22(3-2-17)14(10)19-15/h8-9H,2-7H2,1H3,(H,24,25)
InChIKeyFQXWRYWIELRCDO-UHFFFAOYSA-N
XLogP0.96
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 6-fluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 3069001) is 6-fluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-fluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid is CN1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3CCF)CC1.
What is the InChIKey of 6-fluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is FQXWRYWIELRCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O3/c1-20-4-6-21(7-5-20)15-12(18)8-10-13(23)11(16(24)25)9-22(3-2-17)14(10)19-15/h8-9H,2-7H2,1H3,(H,24,25).
What are the key properties of 6-fluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
6-fluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 352.34 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 3069001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).