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

C20H11Cl3N2O — CID 56834671

IUPAC4-(2-chlorophenyl)-8-(2,6-dichlorophenyl)-7-oxido-1,7-naphthyridin-7-ium
SMILES[O-][n+]1ccc2c(-c3ccccc3Cl)ccnc2c1-c1c(Cl)cccc1Cl
InChIInChI=1S/C20H11Cl3N2O/c21-15-5-2-1-4-13(15)12-8-10-24-19-14(12)9-11-25(26)20(19)18-16(22)6-3-7-17(18)23/h1-11H
InChIKeyUZTHWIMZMNTSOP-UHFFFAOYSA-N
MW401.68 g/mol
LogP6.16
Rot. Bonds2

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

4-(2-chlorophenyl)-8-(2,6-dichlorophenyl)-7-oxido-1,7-naphthyridin-7-ium (PubChem CID 56834671) has the molecular formula C20H11Cl3N2O and a molecular weight of 401.68 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-8-(2,6-dichlorophenyl)-7-oxido-1,7-naphthyridin-7-ium.

Molecular Properties

Compound Name4-(2-chlorophenyl)-8-(2,6-dichlorophenyl)-7-oxido-1,7-naphthyridin-7-ium
PubChem CID56834671
Molecular FormulaC20H11Cl3N2O
Molecular Weight401.68 g/mol
Exact Mass399.99
IUPAC Name4-(2-chlorophenyl)-8-(2,6-dichlorophenyl)-7-oxido-1,7-naphthyridin-7-ium
SMILES[O-][n+]1ccc2c(-c3ccccc3Cl)ccnc2c1-c1c(Cl)cccc1Cl
InChIInChI=1S/C20H11Cl3N2O/c21-15-5-2-1-4-13(15)12-8-10-24-19-14(12)9-11-25(26)20(19)18-16(22)6-3-7-17(18)23/h1-11H
InChIKeyUZTHWIMZMNTSOP-UHFFFAOYSA-N
XLogP6.16
TPSA39.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.68
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-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-1,7-naphthyridin-7-ium?
The IUPAC name of 4-(2-chlorophenyl)-8-(2,6-dichlorophenyl)-7-oxido-1,7-naphthyridin-7-ium (CID 56834671) is 4-(2-chlorophenyl)-8-(2,6-dichlorophenyl)-7-oxido-1,7-naphthyridin-7-ium.
What is the SMILES notation for 4-(2-chlorophenyl)-8-(2,6-dichlorophenyl)-7-oxido-1,7-naphthyridin-7-ium?
The canonical SMILES for 4-(2-chlorophenyl)-8-(2,6-dichlorophenyl)-7-oxido-1,7-naphthyridin-7-ium is [O-][n+]1ccc2c(-c3ccccc3Cl)ccnc2c1-c1c(Cl)cccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-8-(2,6-dichlorophenyl)-7-oxido-1,7-naphthyridin-7-ium?
The InChIKey is UZTHWIMZMNTSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl3N2O/c21-15-5-2-1-4-13(15)12-8-10-24-19-14(12)9-11-25(26)20(19)18-16(22)6-3-7-17(18)23/h1-11H.
What are the key properties of 4-(2-chlorophenyl)-8-(2,6-dichlorophenyl)-7-oxido-1,7-naphthyridin-7-ium?
4-(2-chlorophenyl)-8-(2,6-dichlorophenyl)-7-oxido-1,7-naphthyridin-7-ium has a molecular weight of 401.68 g/mol, XLogP of 6.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-8-(2,6-dichlorophenyl)-7-oxido-1,7-naphthyridin-7-ium is sourced from PubChem (CID 56834671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).