8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-2-piperidin-4-yl-1,7-naphthyridin-7-ium

C25H19Cl2F2N3O — CID 24899987

IUPAC8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-2-piperidin-4-yl-1,7-naphthyridin-7-ium
SMILES[O-][n+]1ccc2c(-c3ccc(F)cc3F)cc(C3CCNCC3)nc2c1-c1c(Cl)cccc1Cl
InChIInChI=1S/C25H19Cl2F2N3O/c26-19-2-1-3-20(27)23(19)25-24-17(8-11-32(25)33)18(16-5-4-15(28)12-21(16)29)13-22(31-24)14-6-9-30-10-7-14/h1-5,8,11-14,30H,6-7,9-10H2
InChIKeyWLMGLORLNFEUDG-UHFFFAOYSA-N
MW486.35 g/mol
LogP6.25
Rot. Bonds3

About 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-2-piperidin-4-yl-1,7-naphthyridin-7-ium

8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-2-piperidin-4-yl-1,7-naphthyridin-7-ium (PubChem CID 24899987) has the molecular formula C25H19Cl2F2N3O and a molecular weight of 486.35 g/mol. Its IUPAC name is 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-2-piperidin-4-yl-1,7-naphthyridin-7-ium.

Molecular Properties

Compound Name8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-2-piperidin-4-yl-1,7-naphthyridin-7-ium
PubChem CID24899987
Molecular FormulaC25H19Cl2F2N3O
Molecular Weight486.35 g/mol
Exact Mass485.09
IUPAC Name8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-2-piperidin-4-yl-1,7-naphthyridin-7-ium
SMILES[O-][n+]1ccc2c(-c3ccc(F)cc3F)cc(C3CCNCC3)nc2c1-c1c(Cl)cccc1Cl
InChIInChI=1S/C25H19Cl2F2N3O/c26-19-2-1-3-20(27)23(19)25-24-17(8-11-32(25)33)18(16-5-4-15(28)12-21(16)29)13-22(31-24)14-6-9-30-10-7-14/h1-5,8,11-14,30H,6-7,9-10H2
InChIKeyWLMGLORLNFEUDG-UHFFFAOYSA-N
XLogP6.25
TPSA51.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.35
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-2-piperidin-4-yl-1,7-naphthyridin-7-ium?
The IUPAC name of 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-2-piperidin-4-yl-1,7-naphthyridin-7-ium (CID 24899987) is 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-2-piperidin-4-yl-1,7-naphthyridin-7-ium.
What is the SMILES notation for 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-2-piperidin-4-yl-1,7-naphthyridin-7-ium?
The canonical SMILES for 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-2-piperidin-4-yl-1,7-naphthyridin-7-ium is [O-][n+]1ccc2c(-c3ccc(F)cc3F)cc(C3CCNCC3)nc2c1-c1c(Cl)cccc1Cl.
What is the InChIKey of 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-2-piperidin-4-yl-1,7-naphthyridin-7-ium?
The InChIKey is WLMGLORLNFEUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2F2N3O/c26-19-2-1-3-20(27)23(19)25-24-17(8-11-32(25)33)18(16-5-4-15(28)12-21(16)29)13-22(31-24)14-6-9-30-10-7-14/h1-5,8,11-14,30H,6-7,9-10H2.
What are the key properties of 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-2-piperidin-4-yl-1,7-naphthyridin-7-ium?
8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-2-piperidin-4-yl-1,7-naphthyridin-7-ium has a molecular weight of 486.35 g/mol, XLogP of 6.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-2-piperidin-4-yl-1,7-naphthyridin-7-ium is sourced from PubChem (CID 24899987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).