cyclohexyl 7-chloro-1-cyclohexyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate

C21H24ClFN2O3 — CID 46947388

IUPACcyclohexyl 7-chloro-1-cyclohexyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESO=C(OC1CCCCC1)c1cn(C2CCCCC2)c2nc(Cl)c(F)cc2c1=O
InChIInChI=1S/C21H24ClFN2O3/c22-19-17(23)11-15-18(26)16(21(27)28-14-9-5-2-6-10-14)12-25(20(15)24-19)13-7-3-1-4-8-13/h11-14H,1-10H2
InChIKeyQZXROQOTLIJFFD-UHFFFAOYSA-N
MW406.89 g/mol
LogP5.18
Rot. Bonds3

About cyclohexyl 7-chloro-1-cyclohexyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate

cyclohexyl 7-chloro-1-cyclohexyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 46947388) has the molecular formula C21H24ClFN2O3 and a molecular weight of 406.89 g/mol. Its IUPAC name is cyclohexyl 7-chloro-1-cyclohexyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namecyclohexyl 7-chloro-1-cyclohexyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID46947388
Molecular FormulaC21H24ClFN2O3
Molecular Weight406.89 g/mol
Exact Mass406.15
IUPAC Namecyclohexyl 7-chloro-1-cyclohexyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESO=C(OC1CCCCC1)c1cn(C2CCCCC2)c2nc(Cl)c(F)cc2c1=O
InChIInChI=1S/C21H24ClFN2O3/c22-19-17(23)11-15-18(26)16(21(27)28-14-9-5-2-6-10-14)12-25(20(15)24-19)13-7-3-1-4-8-13/h11-14H,1-10H2
InChIKeyQZXROQOTLIJFFD-UHFFFAOYSA-N
XLogP5.18
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.89
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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

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Launch Full Analysis

Related Compounds

ethyl 1-cyclohexyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate
CID 46947192
8-chloro-1-cyclopropyl-7-fluoro-4-oxobenzo[b][1,8]naphthyridine-3-carboxylic acid
CID 14700556
ethyl 1-cyclopropyl-7,8,9-trifluoro-4-oxobenzo[b][1,8]naphthyridine-3-carboxylate
CID 18549164
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
tert-butyl-[[1-(6-chloro-1-cyclobutyl-5-fluoropyrrolo[2,3-b]pyridin-3-yl)-2,2-difluoroethylidene]amino]-oxidosulfanium
CID 174059869
1-cyclopropyl-6-fluoro-4-oxo-7-pyrrol-1-yl-1,8-naphthyridine-3-carboxylic acid
CID 70462520
7-chloro-1-cyclopropyl-6-fluoro-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 175445507
1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 13471156
1-cyclopentyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 82251132
dicyclopentyl 2-hydroxy-1,3-dioxoisoindole-5,6-dicarboxylate
CID 22247185
cyclohexyl 2-fluoro-5-methylbenzoate
CID 62947219
methyl 7-chloro-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
CID 18351232

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 7-chloro-1-cyclohexyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of cyclohexyl 7-chloro-1-cyclohexyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate (CID 46947388) is cyclohexyl 7-chloro-1-cyclohexyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for cyclohexyl 7-chloro-1-cyclohexyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for cyclohexyl 7-chloro-1-cyclohexyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate is O=C(OC1CCCCC1)c1cn(C2CCCCC2)c2nc(Cl)c(F)cc2c1=O.
What is the InChIKey of cyclohexyl 7-chloro-1-cyclohexyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is QZXROQOTLIJFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN2O3/c22-19-17(23)11-15-18(26)16(21(27)28-14-9-5-2-6-10-14)12-25(20(15)24-19)13-7-3-1-4-8-13/h11-14H,1-10H2.
What are the key properties of cyclohexyl 7-chloro-1-cyclohexyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate?
cyclohexyl 7-chloro-1-cyclohexyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 406.89 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 7-chloro-1-cyclohexyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 46947388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).