6-chloro-1-ethenyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid

C15H15ClN4O3 — CID 3058380

IUPAC6-chloro-1-ethenyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid
SMILESC=Cn1cc(C(=O)O)c(=O)c2cc(Cl)c(N3CCNCC3)nc21
InChIInChI=1S/C15H15ClN4O3/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)
InChIKeyIBNRYICCESAGML-UHFFFAOYSA-N
MW334.76 g/mol
LogP1.26
Rot. Bonds3

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

6-chloro-1-ethenyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid (PubChem CID 3058380) has the molecular formula C15H15ClN4O3 and a molecular weight of 334.76 g/mol. Its IUPAC name is 6-chloro-1-ethenyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-1-ethenyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid
PubChem CID3058380
Molecular FormulaC15H15ClN4O3
Molecular Weight334.76 g/mol
Exact Mass334.08
IUPAC Name6-chloro-1-ethenyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid
SMILESC=Cn1cc(C(=O)O)c(=O)c2cc(Cl)c(N3CCNCC3)nc21
InChIInChI=1S/C15H15ClN4O3/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)
InChIKeyIBNRYICCESAGML-UHFFFAOYSA-N
XLogP1.26
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-ethenyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-1-ethenyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid (CID 3058380) is 6-chloro-1-ethenyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-1-ethenyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-1-ethenyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid is C=Cn1cc(C(=O)O)c(=O)c2cc(Cl)c(N3CCNCC3)nc21.
What is the InChIKey of 6-chloro-1-ethenyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is IBNRYICCESAGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O3/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).
What are the key properties of 6-chloro-1-ethenyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid?
6-chloro-1-ethenyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 334.76 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-ethenyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 3058380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).