4-oxo-7-piperazin-1-yl-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride

C16H16ClN5O3S — CID 25204071

IUPAC4-oxo-7-piperazin-1-yl-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cn(-c2nccs2)c2nc(N3CCNCC3)ccc2c1=O
InChIInChI=1S/C16H15N5O3S.ClH/c22-13-10-1-2-12(20-6-3-17-4-7-20)19-14(10)21(9-11(13)15(23)24)16-18-5-8-25-16;/h1-2,5,8-9,17H,3-4,6-7H2,(H,23,24);1H
InChIKeyQTPPDYVTPSMXHN-UHFFFAOYSA-N
MW393.86 g/mol
LogP1.37
Rot. Bonds3

About 4-oxo-7-piperazin-1-yl-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride

4-oxo-7-piperazin-1-yl-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride (PubChem CID 25204071) has the molecular formula C16H16ClN5O3S and a molecular weight of 393.86 g/mol. Its IUPAC name is 4-oxo-7-piperazin-1-yl-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-oxo-7-piperazin-1-yl-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride
PubChem CID25204071
Molecular FormulaC16H16ClN5O3S
Molecular Weight393.86 g/mol
Exact Mass393.07
IUPAC Name4-oxo-7-piperazin-1-yl-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cn(-c2nccs2)c2nc(N3CCNCC3)ccc2c1=O
InChIInChI=1S/C16H15N5O3S.ClH/c22-13-10-1-2-12(20-6-3-17-4-7-20)19-14(10)21(9-11(13)15(23)24)16-18-5-8-25-16;/h1-2,5,8-9,17H,3-4,6-7H2,(H,23,24);1H
InChIKeyQTPPDYVTPSMXHN-UHFFFAOYSA-N
XLogP1.37
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.86
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-7-piperazin-1-yl-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of 4-oxo-7-piperazin-1-yl-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride (CID 25204071) is 4-oxo-7-piperazin-1-yl-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-oxo-7-piperazin-1-yl-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 4-oxo-7-piperazin-1-yl-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride is Cl.O=C(O)c1cn(-c2nccs2)c2nc(N3CCNCC3)ccc2c1=O.
What is the InChIKey of 4-oxo-7-piperazin-1-yl-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride?
The InChIKey is QTPPDYVTPSMXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3S.ClH/c22-13-10-1-2-12(20-6-3-17-4-7-20)19-14(10)21(9-11(13)15(23)24)16-18-5-8-25-16;/h1-2,5,8-9,17H,3-4,6-7H2,(H,23,24);1H.
What are the key properties of 4-oxo-7-piperazin-1-yl-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride?
4-oxo-7-piperazin-1-yl-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride has a molecular weight of 393.86 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-7-piperazin-1-yl-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 25204071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).