ethyl 7-chloro-1-(5-fluoro-1,3-thiazol-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylate

C14H9ClFN3O3S — CID 142434761

IUPACethyl 7-chloro-1-(5-fluoro-1,3-thiazol-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(-c2ncc(F)s2)c2nc(Cl)ccc2c1=O
InChIInChI=1S/C14H9ClFN3O3S/c1-2-22-13(21)8-6-19(14-17-5-10(16)23-14)12-7(11(8)20)3-4-9(15)18-12/h3-6H,2H2,1H3
InChIKeyAILXWPUFPAWVLS-UHFFFAOYSA-N
MW353.76 g/mol
LogP2.81
Rot. Bonds3

About ethyl 7-chloro-1-(5-fluoro-1,3-thiazol-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylate

ethyl 7-chloro-1-(5-fluoro-1,3-thiazol-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 142434761) has the molecular formula C14H9ClFN3O3S and a molecular weight of 353.76 g/mol. Its IUPAC name is ethyl 7-chloro-1-(5-fluoro-1,3-thiazol-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloro-1-(5-fluoro-1,3-thiazol-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID142434761
Molecular FormulaC14H9ClFN3O3S
Molecular Weight353.76 g/mol
Exact Mass353.00
IUPAC Nameethyl 7-chloro-1-(5-fluoro-1,3-thiazol-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(-c2ncc(F)s2)c2nc(Cl)ccc2c1=O
InChIInChI=1S/C14H9ClFN3O3S/c1-2-22-13(21)8-6-19(14-17-5-10(16)23-14)12-7(11(8)20)3-4-9(15)18-12/h3-6H,2H2,1H3
InChIKeyAILXWPUFPAWVLS-UHFFFAOYSA-N
XLogP2.81
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.76
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl 7-chloro-1-(2,6-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylate
CID 135355077
ethyl 7-chloro-1-(3,5-difluoro-2-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxylate
CID 134181833
CID 145440043
CID 145440043
ethyl 1-(1,3-benzothiazol-2-yl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 10938318
ethyl 7-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylate
CID 91367850
ethyl 2-methylsulfanyl-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylate
CID 11002551
ethyl 7-chloro-5-(hydroxyamino)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylate
CID 142435577
ethyl 1-(5-amino-2,3,4-trifluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 54318442
7-chloro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142435114
ethyl 6-chloro-1,2-dimethylpyrrolo[2,3-b]pyridine-3-carboxylate
CID 170073021
ethyl 7-chloro-1-[3-(6-methoxy-3-pyridinyl)-1,2,4-thiadiazol-5-yl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 142435016
ethyl 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 600067

Frequently Asked Questions

What is the IUPAC name of ethyl 7-chloro-1-(5-fluoro-1,3-thiazol-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 7-chloro-1-(5-fluoro-1,3-thiazol-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylate (CID 142434761) is ethyl 7-chloro-1-(5-fluoro-1,3-thiazol-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-chloro-1-(5-fluoro-1,3-thiazol-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 7-chloro-1-(5-fluoro-1,3-thiazol-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cn(-c2ncc(F)s2)c2nc(Cl)ccc2c1=O.
What is the InChIKey of ethyl 7-chloro-1-(5-fluoro-1,3-thiazol-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is AILXWPUFPAWVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3O3S/c1-2-22-13(21)8-6-19(14-17-5-10(16)23-14)12-7(11(8)20)3-4-9(15)18-12/h3-6H,2H2,1H3.
What are the key properties of ethyl 7-chloro-1-(5-fluoro-1,3-thiazol-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylate?
ethyl 7-chloro-1-(5-fluoro-1,3-thiazol-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 353.76 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chloro-1-(5-fluoro-1,3-thiazol-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 142434761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).