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

C15H18Cl2N4O3 — CID 3057924

IUPAC6-chloro-1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride
SMILESCCn1cc(C(=O)O)c(=O)c2cc(Cl)c(N3CCNCC3)nc21.Cl
InChIInChI=1S/C15H17ClN4O3.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;/h7-8,17H,2-6H2,1H3,(H,22,23);1H
InChIKeyUYXDPBLSERXAOZ-UHFFFAOYSA-N
MW373.24 g/mol
LogP1.60
Rot. Bonds3

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

6-chloro-1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride (PubChem CID 3057924) has the molecular formula C15H18Cl2N4O3 and a molecular weight of 373.24 g/mol. Its IUPAC name is 6-chloro-1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-chloro-1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride
PubChem CID3057924
Molecular FormulaC15H18Cl2N4O3
Molecular Weight373.24 g/mol
Exact Mass372.08
IUPAC Name6-chloro-1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride
SMILESCCn1cc(C(=O)O)c(=O)c2cc(Cl)c(N3CCNCC3)nc21.Cl
InChIInChI=1S/C15H17ClN4O3.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;/h7-8,17H,2-6H2,1H3,(H,22,23);1H
InChIKeyUYXDPBLSERXAOZ-UHFFFAOYSA-N
XLogP1.60
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of 6-chloro-1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride (CID 3057924) is 6-chloro-1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 6-chloro-1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 6-chloro-1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride is CCn1cc(C(=O)O)c(=O)c2cc(Cl)c(N3CCNCC3)nc21.Cl.
What is the InChIKey of 6-chloro-1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride?
The InChIKey is UYXDPBLSERXAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O3.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;/h7-8,17H,2-6H2,1H3,(H,22,23);1H.
What are the key properties of 6-chloro-1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride?
6-chloro-1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride has a molecular weight of 373.24 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-ethyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 3057924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).