ethyl 7-[[4-fluoro-2-(methanesulfonamidomethyl)phenyl]methyl]-4-methoxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate

C22H24FN3O6S — CID 59799185

IUPACethyl 7-[[4-fluoro-2-(methanesulfonamidomethyl)phenyl]methyl]-4-methoxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(OC)c2ncc(Cc3ccc(F)cc3CNS(C)(=O)=O)cc2n(C)c1=O
InChIInChI=1S/C22H24FN3O6S/c1-5-32-22(28)18-20(31-3)19-17(26(2)21(18)27)9-13(11-24-19)8-14-6-7-16(23)10-15(14)12-25-33(4,29)30/h6-7,9-11,25H,5,8,12H2,1-4H3
InChIKeyFRYKAFRAHFPSBS-UHFFFAOYSA-N
MW477.51 g/mol
LogP1.90
Rot. Bonds8

About ethyl 7-[[4-fluoro-2-(methanesulfonamidomethyl)phenyl]methyl]-4-methoxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate

ethyl 7-[[4-fluoro-2-(methanesulfonamidomethyl)phenyl]methyl]-4-methoxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate (PubChem CID 59799185) has the molecular formula C22H24FN3O6S and a molecular weight of 477.51 g/mol. Its IUPAC name is ethyl 7-[[4-fluoro-2-(methanesulfonamidomethyl)phenyl]methyl]-4-methoxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-[[4-fluoro-2-(methanesulfonamidomethyl)phenyl]methyl]-4-methoxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate
PubChem CID59799185
Molecular FormulaC22H24FN3O6S
Molecular Weight477.51 g/mol
Exact Mass477.14
IUPAC Nameethyl 7-[[4-fluoro-2-(methanesulfonamidomethyl)phenyl]methyl]-4-methoxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(OC)c2ncc(Cc3ccc(F)cc3CNS(C)(=O)=O)cc2n(C)c1=O
InChIInChI=1S/C22H24FN3O6S/c1-5-32-22(28)18-20(31-3)19-17(26(2)21(18)27)9-13(11-24-19)8-14-6-7-16(23)10-15(14)12-25-33(4,29)30/h6-7,9-11,25H,5,8,12H2,1-4H3
InChIKeyFRYKAFRAHFPSBS-UHFFFAOYSA-N
XLogP1.90
TPSA116.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.51
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-[[4-fluoro-2-(methanesulfonamidomethyl)phenyl]methyl]-4-methoxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 7-[[4-fluoro-2-(methanesulfonamidomethyl)phenyl]methyl]-4-methoxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate (CID 59799185) is ethyl 7-[[4-fluoro-2-(methanesulfonamidomethyl)phenyl]methyl]-4-methoxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-[[4-fluoro-2-(methanesulfonamidomethyl)phenyl]methyl]-4-methoxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 7-[[4-fluoro-2-(methanesulfonamidomethyl)phenyl]methyl]-4-methoxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate is CCOC(=O)c1c(OC)c2ncc(Cc3ccc(F)cc3CNS(C)(=O)=O)cc2n(C)c1=O.
What is the InChIKey of ethyl 7-[[4-fluoro-2-(methanesulfonamidomethyl)phenyl]methyl]-4-methoxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate?
The InChIKey is FRYKAFRAHFPSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O6S/c1-5-32-22(28)18-20(31-3)19-17(26(2)21(18)27)9-13(11-24-19)8-14-6-7-16(23)10-15(14)12-25-33(4,29)30/h6-7,9-11,25H,5,8,12H2,1-4H3.
What are the key properties of ethyl 7-[[4-fluoro-2-(methanesulfonamidomethyl)phenyl]methyl]-4-methoxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate?
ethyl 7-[[4-fluoro-2-(methanesulfonamidomethyl)phenyl]methyl]-4-methoxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate has a molecular weight of 477.51 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[[4-fluoro-2-(methanesulfonamidomethyl)phenyl]methyl]-4-methoxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate is sourced from PubChem (CID 59799185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).