ethyl 1-cyclohexyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate

C21H27FN4O3 — CID 46947192

IUPACethyl 1-cyclohexyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(C2CCCCC2)c2nc(N3CCNCC3)c(F)cc2c1=O
InChIInChI=1S/C21H27FN4O3/c1-2-29-21(28)16-13-26(14-6-4-3-5-7-14)19-15(18(16)27)12-17(22)20(24-19)25-10-8-23-9-11-25/h12-14,23H,2-11H2,1H3
InChIKeyUNHWEIJZRJIOBP-UHFFFAOYSA-N
MW402.47 g/mol
LogP2.63
Rot. Bonds4

About ethyl 1-cyclohexyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate

ethyl 1-cyclohexyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate (PubChem CID 46947192) has the molecular formula C21H27FN4O3 and a molecular weight of 402.47 g/mol. Its IUPAC name is ethyl 1-cyclohexyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-cyclohexyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate
PubChem CID46947192
Molecular FormulaC21H27FN4O3
Molecular Weight402.47 g/mol
Exact Mass402.21
IUPAC Nameethyl 1-cyclohexyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(C2CCCCC2)c2nc(N3CCNCC3)c(F)cc2c1=O
InChIInChI=1S/C21H27FN4O3/c1-2-29-21(28)16-13-26(14-6-4-3-5-7-14)19-15(18(16)27)12-17(22)20(24-19)25-10-8-23-9-11-25/h12-14,23H,2-11H2,1H3
InChIKeyUNHWEIJZRJIOBP-UHFFFAOYSA-N
XLogP2.63
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 1-cyclohexyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 6-fluoro-1-(5-fluoro-2-pyridinyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate
CID 10669529
ethyl 1-cyclopropyl-7,8,9-trifluoro-4-oxobenzo[b][1,8]naphthyridine-3-carboxylate
CID 18549164
ethyl 1-ethyl-6-fluoro-2-methyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate
CID 14664850
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 1-cyclopropyl-6-fluoro-7-[(3S,4R)-3-fluoro-4-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylate
CID 22837827
1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 13471156
CID 163919531
CID 163919531
cyclohexyl 7-chloro-1-cyclohexyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 46947388
naphthalen-2-yl 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate
CID 25228872
7-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 70383090
ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-pyridin-2-yl-1,8-naphthyridine-3-carboxylate
CID 10862218
ethyl 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6-fluoro-1-(4-methoxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxylate
CID 11385492

Frequently Asked Questions

What is the IUPAC name of ethyl 1-cyclohexyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 1-cyclohexyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate (CID 46947192) is ethyl 1-cyclohexyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-cyclohexyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 1-cyclohexyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cn(C2CCCCC2)c2nc(N3CCNCC3)c(F)cc2c1=O.
What is the InChIKey of ethyl 1-cyclohexyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate?
The InChIKey is UNHWEIJZRJIOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O3/c1-2-29-21(28)16-13-26(14-6-4-3-5-7-14)19-15(18(16)27)12-17(22)20(24-19)25-10-8-23-9-11-25/h12-14,23H,2-11H2,1H3.
What are the key properties of ethyl 1-cyclohexyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate?
ethyl 1-cyclohexyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate has a molecular weight of 402.47 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-cyclohexyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 46947192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).