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

C16H15ClN4O4S — CID 45264306

IUPAC7-morpholin-4-yl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cn(-c2nccs2)c2nc(N3CCOCC3)ccc2c1=O
InChIInChI=1S/C16H14N4O4S.ClH/c21-13-10-1-2-12(19-4-6-24-7-5-19)18-14(10)20(9-11(13)15(22)23)16-17-3-8-25-16;/h1-3,8-9H,4-7H2,(H,22,23);1H
InChIKeyCICSZIZVCYLLHC-UHFFFAOYSA-N
MW394.84 g/mol
LogP1.80
Rot. Bonds3

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

7-morpholin-4-yl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride (PubChem CID 45264306) has the molecular formula C16H15ClN4O4S and a molecular weight of 394.84 g/mol. Its IUPAC name is 7-morpholin-4-yl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name7-morpholin-4-yl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride
PubChem CID45264306
Molecular FormulaC16H15ClN4O4S
Molecular Weight394.84 g/mol
Exact Mass394.05
IUPAC Name7-morpholin-4-yl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cn(-c2nccs2)c2nc(N3CCOCC3)ccc2c1=O
InChIInChI=1S/C16H14N4O4S.ClH/c21-13-10-1-2-12(19-4-6-24-7-5-19)18-14(10)20(9-11(13)15(22)23)16-17-3-8-25-16;/h1-3,8-9H,4-7H2,(H,22,23);1H
InChIKeyCICSZIZVCYLLHC-UHFFFAOYSA-N
XLogP1.80
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.84
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-morpholin-4-yl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of 7-morpholin-4-yl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride (CID 45264306) is 7-morpholin-4-yl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 7-morpholin-4-yl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 7-morpholin-4-yl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride is Cl.O=C(O)c1cn(-c2nccs2)c2nc(N3CCOCC3)ccc2c1=O.
What is the InChIKey of 7-morpholin-4-yl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride?
The InChIKey is CICSZIZVCYLLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4S.ClH/c21-13-10-1-2-12(19-4-6-24-7-5-19)18-14(10)20(9-11(13)15(22)23)16-17-3-8-25-16;/h1-3,8-9H,4-7H2,(H,22,23);1H.
What are the key properties of 7-morpholin-4-yl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride?
7-morpholin-4-yl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride has a molecular weight of 394.84 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-morpholin-4-yl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 45264306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).