7-[4-[2-[[4-(3-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid

C27H26ClFN4O6 — CID 90683190

IUPAC7-[4-[2-[[4-(3-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(CCOC4=C(c5cccc(Cl)c5)C(=O)OC4)CC3)nc21
InChIInChI=1S/C27H26ClFN4O6/c1-2-32-14-19(26(35)36)23(34)18-13-20(29)25(30-24(18)32)33-8-6-31(7-9-33)10-11-38-21-15-39-27(37)22(21)16-4-3-5-17(28)12-16/h3-5,12-14H,2,6-11,15H2,1H3,(H,35,36)
InChIKeyYODOEWHFZMLIOR-UHFFFAOYSA-N
MW556.98 g/mol
LogP3.01
Rot. Bonds8

About 7-[4-[2-[[4-(3-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid

7-[4-[2-[[4-(3-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 90683190) has the molecular formula C27H26ClFN4O6 and a molecular weight of 556.98 g/mol. Its IUPAC name is 7-[4-[2-[[4-(3-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-[4-[2-[[4-(3-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID90683190
Molecular FormulaC27H26ClFN4O6
Molecular Weight556.98 g/mol
Exact Mass556.15
IUPAC Name7-[4-[2-[[4-(3-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(CCOC4=C(c5cccc(Cl)c5)C(=O)OC4)CC3)nc21
InChIInChI=1S/C27H26ClFN4O6/c1-2-32-14-19(26(35)36)23(34)18-13-20(29)25(30-24(18)32)33-8-6-31(7-9-33)10-11-38-21-15-39-27(37)22(21)16-4-3-5-17(28)12-16/h3-5,12-14H,2,6-11,15H2,1H3,(H,35,36)
InChIKeyYODOEWHFZMLIOR-UHFFFAOYSA-N
XLogP3.01
TPSA114.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.98
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-[4-[2-[[4-(3-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[2-[[4-(3-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-[4-[2-[[4-(3-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 90683190) is 7-[4-[2-[[4-(3-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-[4-[2-[[4-(3-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-[4-[2-[[4-(3-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(CCOC4=C(c5cccc(Cl)c5)C(=O)OC4)CC3)nc21.
What is the InChIKey of 7-[4-[2-[[4-(3-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is YODOEWHFZMLIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClFN4O6/c1-2-32-14-19(26(35)36)23(34)18-13-20(29)25(30-24(18)32)33-8-6-31(7-9-33)10-11-38-21-15-39-27(37)22(21)16-4-3-5-17(28)12-16/h3-5,12-14H,2,6-11,15H2,1H3,(H,35,36).
What are the key properties of 7-[4-[2-[[4-(3-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
7-[4-[2-[[4-(3-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 556.98 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[2-[[4-(3-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 90683190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).