ethyl 3-fluoro-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate

C17H11FN2O3S — CID 59516526

IUPACethyl 3-fluoro-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate
SMILESCCOC(=O)c1c(=O)c2cc(F)cnc2n2c1sc1ccccc12
InChIInChI=1S/C17H11FN2O3S/c1-2-23-17(22)13-14(21)10-7-9(18)8-19-15(10)20-11-5-3-4-6-12(11)24-16(13)20/h3-8H,2H2,1H3
InChIKeyIQDYIGVFHCAXTQ-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.38
Rot. Bonds2

About ethyl 3-fluoro-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate

ethyl 3-fluoro-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate (PubChem CID 59516526) has the molecular formula C17H11FN2O3S and a molecular weight of 342.35 g/mol. Its IUPAC name is ethyl 3-fluoro-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-fluoro-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate
PubChem CID59516526
Molecular FormulaC17H11FN2O3S
Molecular Weight342.35 g/mol
Exact Mass342.05
IUPAC Nameethyl 3-fluoro-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate
SMILESCCOC(=O)c1c(=O)c2cc(F)cnc2n2c1sc1ccccc12
InChIInChI=1S/C17H11FN2O3S/c1-2-23-17(22)13-14(21)10-7-9(18)8-19-15(10)20-11-5-3-4-6-12(11)24-16(13)20/h3-8H,2H2,1H3
InChIKeyIQDYIGVFHCAXTQ-UHFFFAOYSA-N
XLogP3.38
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-[(2-fluorophenyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylate
CID 90682788
Ethyl 7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-oxo-1-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxylate
CID 90682793
Ethyl 7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-oxo-1-(2-pyridin-2-ylethyl)-1,8-naphthyridine-3-carboxylate
CID 90682814
Ethyl 7-(1,3-benzothiazol-2-ylsulfanyl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 137646694
Ethyl 1-(2,4-difluorophenyl)-6,7-difluoro-1,4-dihydro-4-oxo-naphthyridine-3-carboxylate
CID 10406564
Ethyl 6,7-difluoro-1-(5-fluoro-2-pyridinyl)-4-oxoquinoline-3-carboxylate
CID 10831553
Ethyl 1-(1,3-benzothiazol-2-yl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 10938318
Ethyl 1-cyclopropyl-6-fluoro-7-(4-methylphenyl)sulfanyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 13456045
Ethyl 1-(2,4-difluorophenyl)-7-ethylthio-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 13849337
Ethyl 1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-7-phenylthio-1,8-naphthyridine-3-carboxylate
CID 13849338
Ethyl 1-(2,4-difluorophenyl)-7-ethylsulfinyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 13849339
Ethyl 7-benzenesulfinyl-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 13849340

Frequently Asked Questions

What is the IUPAC name of ethyl 3-fluoro-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate?
The IUPAC name of ethyl 3-fluoro-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate (CID 59516526) is ethyl 3-fluoro-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate.
What is the SMILES notation for ethyl 3-fluoro-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate?
The canonical SMILES for ethyl 3-fluoro-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate is CCOC(=O)c1c(=O)c2cc(F)cnc2n2c1sc1ccccc12.
What is the InChIKey of ethyl 3-fluoro-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate?
The InChIKey is IQDYIGVFHCAXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2O3S/c1-2-23-17(22)13-14(21)10-7-9(18)8-19-15(10)20-11-5-3-4-6-12(11)24-16(13)20/h3-8H,2H2,1H3.
What are the key properties of ethyl 3-fluoro-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate?
ethyl 3-fluoro-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate has a molecular weight of 342.35 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-fluoro-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylate is sourced from PubChem (CID 59516526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).