1-ethenyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride

C15H16ClFN4O3 — CID 3058379

IUPAC1-ethenyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride
SMILESC=Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21.Cl
InChIInChI=1S/C15H15FN4O3.ClH/c1-2-19-8-10(15(22)23)12(21)9-7-11(16)14(18-13(9)19)20-5-3-17-4-6-20;/h2,7-8,17H,1,3-6H2,(H,22,23);1H
InChIKeyJSEYXCHQNDEFDH-UHFFFAOYSA-N
MW354.77 g/mol
LogP1.17
Rot. Bonds3

About 1-ethenyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride

1-ethenyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride (PubChem CID 3058379) has the molecular formula C15H16ClFN4O3 and a molecular weight of 354.77 g/mol. Its IUPAC name is 1-ethenyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-ethenyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride
PubChem CID3058379
Molecular FormulaC15H16ClFN4O3
Molecular Weight354.77 g/mol
Exact Mass354.09
IUPAC Name1-ethenyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride
SMILESC=Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21.Cl
InChIInChI=1S/C15H15FN4O3.ClH/c1-2-19-8-10(15(22)23)12(21)9-7-11(16)14(18-13(9)19)20-5-3-17-4-6-20;/h2,7-8,17H,1,3-6H2,(H,22,23);1H
InChIKeyJSEYXCHQNDEFDH-UHFFFAOYSA-N
XLogP1.17
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.77
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of 1-ethenyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride (CID 3058379) is 1-ethenyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-ethenyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1-ethenyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride is C=Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21.Cl.
What is the InChIKey of 1-ethenyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride?
The InChIKey is JSEYXCHQNDEFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O3.ClH/c1-2-19-8-10(15(22)23)12(21)9-7-11(16)14(18-13(9)19)20-5-3-17-4-6-20;/h2,7-8,17H,1,3-6H2,(H,22,23);1H.
What are the key properties of 1-ethenyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride?
1-ethenyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride has a molecular weight of 354.77 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 3058379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).