4-(2-chlorophenyl)-8-(2,6-dichlorophenyl)-7-oxido-2-piperazin-1-yl-1,7-naphthyridin-7-ium

C24H19Cl3N4O — CID 56834676

IUPAC4-(2-chlorophenyl)-8-(2,6-dichlorophenyl)-7-oxido-2-piperazin-1-yl-1,7-naphthyridin-7-ium
SMILES[O-][n+]1ccc2c(-c3ccccc3Cl)cc(N3CCNCC3)nc2c1-c1c(Cl)cccc1Cl
InChIInChI=1S/C24H19Cl3N4O/c25-18-5-2-1-4-15(18)17-14-21(30-12-9-28-10-13-30)29-23-16(17)8-11-31(32)24(23)22-19(26)6-3-7-20(22)27/h1-8,11,14,28H,9-10,12-13H2
InChIKeyUKWLMWHLUKKWEG-UHFFFAOYSA-N
MW485.80 g/mol
LogP5.57
Rot. Bonds3

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

4-(2-chlorophenyl)-8-(2,6-dichlorophenyl)-7-oxido-2-piperazin-1-yl-1,7-naphthyridin-7-ium (PubChem CID 56834676) has the molecular formula C24H19Cl3N4O and a molecular weight of 485.80 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-8-(2,6-dichlorophenyl)-7-oxido-2-piperazin-1-yl-1,7-naphthyridin-7-ium.

Molecular Properties

Compound Name4-(2-chlorophenyl)-8-(2,6-dichlorophenyl)-7-oxido-2-piperazin-1-yl-1,7-naphthyridin-7-ium
PubChem CID56834676
Molecular FormulaC24H19Cl3N4O
Molecular Weight485.80 g/mol
Exact Mass484.06
IUPAC Name4-(2-chlorophenyl)-8-(2,6-dichlorophenyl)-7-oxido-2-piperazin-1-yl-1,7-naphthyridin-7-ium
SMILES[O-][n+]1ccc2c(-c3ccccc3Cl)cc(N3CCNCC3)nc2c1-c1c(Cl)cccc1Cl
InChIInChI=1S/C24H19Cl3N4O/c25-18-5-2-1-4-15(18)17-14-21(30-12-9-28-10-13-30)29-23-16(17)8-11-31(32)24(23)22-19(26)6-3-7-20(22)27/h1-8,11,14,28H,9-10,12-13H2
InChIKeyUKWLMWHLUKKWEG-UHFFFAOYSA-N
XLogP5.57
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.80
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-chlorophenyl)-8-(2,6-dichlorophenyl)-7-oxido-2-piperazin-1-yl-1,7-naphthyridin-7-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-8-(2,6-dichlorophenyl)-7-oxido-2-piperazin-1-yl-1,7-naphthyridin-7-ium?
The IUPAC name of 4-(2-chlorophenyl)-8-(2,6-dichlorophenyl)-7-oxido-2-piperazin-1-yl-1,7-naphthyridin-7-ium (CID 56834676) is 4-(2-chlorophenyl)-8-(2,6-dichlorophenyl)-7-oxido-2-piperazin-1-yl-1,7-naphthyridin-7-ium.
What is the SMILES notation for 4-(2-chlorophenyl)-8-(2,6-dichlorophenyl)-7-oxido-2-piperazin-1-yl-1,7-naphthyridin-7-ium?
The canonical SMILES for 4-(2-chlorophenyl)-8-(2,6-dichlorophenyl)-7-oxido-2-piperazin-1-yl-1,7-naphthyridin-7-ium is [O-][n+]1ccc2c(-c3ccccc3Cl)cc(N3CCNCC3)nc2c1-c1c(Cl)cccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-8-(2,6-dichlorophenyl)-7-oxido-2-piperazin-1-yl-1,7-naphthyridin-7-ium?
The InChIKey is UKWLMWHLUKKWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl3N4O/c25-18-5-2-1-4-15(18)17-14-21(30-12-9-28-10-13-30)29-23-16(17)8-11-31(32)24(23)22-19(26)6-3-7-20(22)27/h1-8,11,14,28H,9-10,12-13H2.
What are the key properties of 4-(2-chlorophenyl)-8-(2,6-dichlorophenyl)-7-oxido-2-piperazin-1-yl-1,7-naphthyridin-7-ium?
4-(2-chlorophenyl)-8-(2,6-dichlorophenyl)-7-oxido-2-piperazin-1-yl-1,7-naphthyridin-7-ium has a molecular weight of 485.80 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-8-(2,6-dichlorophenyl)-7-oxido-2-piperazin-1-yl-1,7-naphthyridin-7-ium is sourced from PubChem (CID 56834676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).