ethyl 7-ethylsulfanyl-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylate

C15H16F2N2O3S — CID 13135048

IUPACethyl 7-ethylsulfanyl-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(CCF)c2nc(SCC)c(F)cc2c1=O
InChIInChI=1S/C15H16F2N2O3S/c1-3-22-15(21)10-8-19(6-5-16)13-9(12(10)20)7-11(17)14(18-13)23-4-2/h7-8H,3-6H2,1-2H3
InChIKeyWHLHWLHGORHXDM-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.79
Rot. Bonds6

About ethyl 7-ethylsulfanyl-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylate

ethyl 7-ethylsulfanyl-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 13135048) has the molecular formula C15H16F2N2O3S and a molecular weight of 342.37 g/mol. Its IUPAC name is ethyl 7-ethylsulfanyl-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-ethylsulfanyl-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID13135048
Molecular FormulaC15H16F2N2O3S
Molecular Weight342.37 g/mol
Exact Mass342.08
IUPAC Nameethyl 7-ethylsulfanyl-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(CCF)c2nc(SCC)c(F)cc2c1=O
InChIInChI=1S/C15H16F2N2O3S/c1-3-22-15(21)10-8-19(6-5-16)13-9(12(10)20)7-11(17)14(18-13)23-4-2/h7-8H,3-6H2,1-2H3
InChIKeyWHLHWLHGORHXDM-UHFFFAOYSA-N
XLogP2.79
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 7-ethylsulfanyl-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 7-ethenyl-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 15636889
ethyl 6-amino-1-ethyl-7-methoxy-4-oxo-1,8-naphthyridine-3-carboxylate
CID 13041126
ethyl 1-(cyclopropylmethyl)-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 783417
ethyl 1-[(2-fluorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940937
ethyl 1-ethyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate
CID 14099128
ethyl 1-(5-amino-2,3,4-trifluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 54318442
ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-ylmethyl)-1,8-naphthyridine-3-carboxylate
CID 11825886
7-(3-amino-3-methylazetidin-1-yl)-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 10472289
CID 163919531
CID 163919531
ethyl 1-ethyl-7-methyl-4-oxo-6-phenyl-1,8-naphthyridine-3-carboxylate
CID 15414746
ethyl 1-cyclopropyl-7-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 22167225
ethyl 2-ethylsulfanyl-6,7-difluoro-4-methylquinoline-3-carboxylate
CID 68511822

Frequently Asked Questions

What is the IUPAC name of ethyl 7-ethylsulfanyl-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 7-ethylsulfanyl-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylate (CID 13135048) is ethyl 7-ethylsulfanyl-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-ethylsulfanyl-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 7-ethylsulfanyl-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cn(CCF)c2nc(SCC)c(F)cc2c1=O.
What is the InChIKey of ethyl 7-ethylsulfanyl-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is WHLHWLHGORHXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O3S/c1-3-22-15(21)10-8-19(6-5-16)13-9(12(10)20)7-11(17)14(18-13)23-4-2/h7-8H,3-6H2,1-2H3.
What are the key properties of ethyl 7-ethylsulfanyl-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylate?
ethyl 7-ethylsulfanyl-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 342.37 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-ethylsulfanyl-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 13135048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).