ethyl 1-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-4-oxo-7-thiophen-2-yl-1,8-naphthyridine-3-carboxylate

C24H21FN2O5S — CID 67274645

IUPACethyl 1-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-4-oxo-7-thiophen-2-yl-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(Cc2ccc(OC)cc2OC)c2nc(-c3cccs3)c(F)cc2c1=O
InChIInChI=1S/C24H21FN2O5S/c1-4-32-24(29)17-13-27(12-14-7-8-15(30-2)10-19(14)31-3)23-16(22(17)28)11-18(25)21(26-23)20-6-5-9-33-20/h5-11,13H,4,12H2,1-3H3
InChIKeyYDESGGHCVAXHKP-UHFFFAOYSA-N
MW468.51 g/mol
LogP4.51
Rot. Bonds7

About ethyl 1-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-4-oxo-7-thiophen-2-yl-1,8-naphthyridine-3-carboxylate

ethyl 1-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-4-oxo-7-thiophen-2-yl-1,8-naphthyridine-3-carboxylate (PubChem CID 67274645) has the molecular formula C24H21FN2O5S and a molecular weight of 468.51 g/mol. Its IUPAC name is ethyl 1-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-4-oxo-7-thiophen-2-yl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-4-oxo-7-thiophen-2-yl-1,8-naphthyridine-3-carboxylate
PubChem CID67274645
Molecular FormulaC24H21FN2O5S
Molecular Weight468.51 g/mol
Exact Mass468.12
IUPAC Nameethyl 1-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-4-oxo-7-thiophen-2-yl-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(Cc2ccc(OC)cc2OC)c2nc(-c3cccs3)c(F)cc2c1=O
InChIInChI=1S/C24H21FN2O5S/c1-4-32-24(29)17-13-27(12-14-7-8-15(30-2)10-19(14)31-3)23-16(22(17)28)11-18(25)21(26-23)20-6-5-9-33-20/h5-11,13H,4,12H2,1-3H3
InChIKeyYDESGGHCVAXHKP-UHFFFAOYSA-N
XLogP4.51
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-4-oxo-7-thiophen-2-yl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 1-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-4-oxo-7-thiophen-2-yl-1,8-naphthyridine-3-carboxylate (CID 67274645) is ethyl 1-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-4-oxo-7-thiophen-2-yl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-4-oxo-7-thiophen-2-yl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 1-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-4-oxo-7-thiophen-2-yl-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cn(Cc2ccc(OC)cc2OC)c2nc(-c3cccs3)c(F)cc2c1=O.
What is the InChIKey of ethyl 1-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-4-oxo-7-thiophen-2-yl-1,8-naphthyridine-3-carboxylate?
The InChIKey is YDESGGHCVAXHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O5S/c1-4-32-24(29)17-13-27(12-14-7-8-15(30-2)10-19(14)31-3)23-16(22(17)28)11-18(25)21(26-23)20-6-5-9-33-20/h5-11,13H,4,12H2,1-3H3.
What are the key properties of ethyl 1-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-4-oxo-7-thiophen-2-yl-1,8-naphthyridine-3-carboxylate?
ethyl 1-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-4-oxo-7-thiophen-2-yl-1,8-naphthyridine-3-carboxylate has a molecular weight of 468.51 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-4-oxo-7-thiophen-2-yl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 67274645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).