1-ethenyl-6-fluoro-7-piperazin-1-yl-1,8-naphthyridin-4-one

C14H15FN4O — CID 150606294

IUPAC1-ethenyl-6-fluoro-7-piperazin-1-yl-1,8-naphthyridin-4-one
SMILESC=Cn1ccc(=O)c2cc(F)c(N3CCNCC3)nc21
InChIInChI=1S/C14H15FN4O/c1-2-18-6-3-12(20)10-9-11(15)14(17-13(10)18)19-7-4-16-5-8-19/h2-3,6,9,16H,1,4-5,7-8H2
InChIKeyISYGFSQVAPKILP-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.05
Rot. Bonds2

About 1-ethenyl-6-fluoro-7-piperazin-1-yl-1,8-naphthyridin-4-one

1-ethenyl-6-fluoro-7-piperazin-1-yl-1,8-naphthyridin-4-one (PubChem CID 150606294) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is 1-ethenyl-6-fluoro-7-piperazin-1-yl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name1-ethenyl-6-fluoro-7-piperazin-1-yl-1,8-naphthyridin-4-one
PubChem CID150606294
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name1-ethenyl-6-fluoro-7-piperazin-1-yl-1,8-naphthyridin-4-one
SMILESC=Cn1ccc(=O)c2cc(F)c(N3CCNCC3)nc21
InChIInChI=1S/C14H15FN4O/c1-2-18-6-3-12(20)10-9-11(15)14(17-13(10)18)19-7-4-16-5-8-19/h2-3,6,9,16H,1,4-5,7-8H2
InChIKeyISYGFSQVAPKILP-UHFFFAOYSA-N
XLogP1.05
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-6-fluoro-7-piperazin-1-yl-1,8-naphthyridin-4-one?
The IUPAC name of 1-ethenyl-6-fluoro-7-piperazin-1-yl-1,8-naphthyridin-4-one (CID 150606294) is 1-ethenyl-6-fluoro-7-piperazin-1-yl-1,8-naphthyridin-4-one.
What is the SMILES notation for 1-ethenyl-6-fluoro-7-piperazin-1-yl-1,8-naphthyridin-4-one?
The canonical SMILES for 1-ethenyl-6-fluoro-7-piperazin-1-yl-1,8-naphthyridin-4-one is C=Cn1ccc(=O)c2cc(F)c(N3CCNCC3)nc21.
What is the InChIKey of 1-ethenyl-6-fluoro-7-piperazin-1-yl-1,8-naphthyridin-4-one?
The InChIKey is ISYGFSQVAPKILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c1-2-18-6-3-12(20)10-9-11(15)14(17-13(10)18)19-7-4-16-5-8-19/h2-3,6,9,16H,1,4-5,7-8H2.
What are the key properties of 1-ethenyl-6-fluoro-7-piperazin-1-yl-1,8-naphthyridin-4-one?
1-ethenyl-6-fluoro-7-piperazin-1-yl-1,8-naphthyridin-4-one has a molecular weight of 274.30 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-6-fluoro-7-piperazin-1-yl-1,8-naphthyridin-4-one is sourced from PubChem (CID 150606294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).