ethyl 1-(2,4-difluorophenyl)-6-fluoro-7-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxo-1,8-naphthyridine-3-carboxylate

C23H21F3N2O5 — CID 10434470

IUPACethyl 1-(2,4-difluorophenyl)-6-fluoro-7-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(-c2ccc(F)cc2F)c2nc(CC(=O)OC(C)(C)C)c(F)cc2c1=O
InChIInChI=1S/C23H21F3N2O5/c1-5-32-22(31)14-11-28(18-7-6-12(24)8-16(18)26)21-13(20(14)30)9-15(25)17(27-21)10-19(29)33-23(2,3)4/h6-9,11H,5,10H2,1-4H3
InChIKeyNNAYIEXLXLVBRU-UHFFFAOYSA-N
MW462.42 g/mol
LogP3.86
Rot. Bonds5

About ethyl 1-(2,4-difluorophenyl)-6-fluoro-7-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxo-1,8-naphthyridine-3-carboxylate

ethyl 1-(2,4-difluorophenyl)-6-fluoro-7-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 10434470) has the molecular formula C23H21F3N2O5 and a molecular weight of 462.42 g/mol. Its IUPAC name is ethyl 1-(2,4-difluorophenyl)-6-fluoro-7-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,4-difluorophenyl)-6-fluoro-7-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID10434470
Molecular FormulaC23H21F3N2O5
Molecular Weight462.42 g/mol
Exact Mass462.14
IUPAC Nameethyl 1-(2,4-difluorophenyl)-6-fluoro-7-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(-c2ccc(F)cc2F)c2nc(CC(=O)OC(C)(C)C)c(F)cc2c1=O
InChIInChI=1S/C23H21F3N2O5/c1-5-32-22(31)14-11-28(18-7-6-12(24)8-16(18)26)21-13(20(14)30)9-15(25)17(27-21)10-19(29)33-23(2,3)4/h6-9,11H,5,10H2,1-4H3
InChIKeyNNAYIEXLXLVBRU-UHFFFAOYSA-N
XLogP3.86
TPSA87.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.42
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 1-(2,4-difluorophenyl)-6-fluoro-7-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxo-1,8-naphthyridine-3-carboxylate with MolForge

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Related Compounds

Nalidixic Acid
CID 4421
Amfonelic Acid
CID 2137
Nalidixate Sodium
CID 23675318
Nalidixate Sodium Anhydrous
CID 3864541
Ethyl 7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 5373687
Ethyl 7-chloro-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 1268243
Prop-2-enyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 3981051
Methyl 1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate
CID 604668
1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-1-ethyl-6-fluoro-4-oxo-7-(4-pyridinyl)-
CID 5744078
3-[(1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carbonyl)-amino]-benzoic acid methyl ester
CID 651144
Benzyl 1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate
CID 1257338
1-Ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid (3-bromophenyl)methyl ester
CID 1314297

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,4-difluorophenyl)-6-fluoro-7-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 1-(2,4-difluorophenyl)-6-fluoro-7-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxo-1,8-naphthyridine-3-carboxylate (CID 10434470) is ethyl 1-(2,4-difluorophenyl)-6-fluoro-7-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2,4-difluorophenyl)-6-fluoro-7-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 1-(2,4-difluorophenyl)-6-fluoro-7-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxo-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cn(-c2ccc(F)cc2F)c2nc(CC(=O)OC(C)(C)C)c(F)cc2c1=O.
What is the InChIKey of ethyl 1-(2,4-difluorophenyl)-6-fluoro-7-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is NNAYIEXLXLVBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O5/c1-5-32-22(31)14-11-28(18-7-6-12(24)8-16(18)26)21-13(20(14)30)9-15(25)17(27-21)10-19(29)33-23(2,3)4/h6-9,11H,5,10H2,1-4H3.
What are the key properties of ethyl 1-(2,4-difluorophenyl)-6-fluoro-7-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxo-1,8-naphthyridine-3-carboxylate?
ethyl 1-(2,4-difluorophenyl)-6-fluoro-7-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 462.42 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,4-difluorophenyl)-6-fluoro-7-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 10434470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).