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

C28H25Cl2F2N3O — CID 24896996

IUPAC8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-2-(1-propan-2-ylpiperidin-4-yl)-1,7-naphthyridin-7-ium
SMILESCC(C)N1CCC(c2cc(-c3ccc(F)cc3F)c3cc[n+]([O-])c(-c4c(Cl)cccc4Cl)c3n2)CC1
InChIInChI=1S/C28H25Cl2F2N3O/c1-16(2)34-11-8-17(9-12-34)25-15-21(19-7-6-18(31)14-24(19)32)20-10-13-35(36)28(27(20)33-25)26-22(29)4-3-5-23(26)30/h3-7,10,13-17H,8-9,11-12H2,1-2H3
InChIKeyHDPCEXDRJITRPB-UHFFFAOYSA-N
MW528.43 g/mol
LogP7.38
Rot. Bonds4

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

8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-2-(1-propan-2-ylpiperidin-4-yl)-1,7-naphthyridin-7-ium (PubChem CID 24896996) has the molecular formula C28H25Cl2F2N3O and a molecular weight of 528.43 g/mol. Its IUPAC name is 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-2-(1-propan-2-ylpiperidin-4-yl)-1,7-naphthyridin-7-ium.

Molecular Properties

Compound Name8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-2-(1-propan-2-ylpiperidin-4-yl)-1,7-naphthyridin-7-ium
PubChem CID24896996
Molecular FormulaC28H25Cl2F2N3O
Molecular Weight528.43 g/mol
Exact Mass527.13
IUPAC Name8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-2-(1-propan-2-ylpiperidin-4-yl)-1,7-naphthyridin-7-ium
SMILESCC(C)N1CCC(c2cc(-c3ccc(F)cc3F)c3cc[n+]([O-])c(-c4c(Cl)cccc4Cl)c3n2)CC1
InChIInChI=1S/C28H25Cl2F2N3O/c1-16(2)34-11-8-17(9-12-34)25-15-21(19-7-6-18(31)14-24(19)32)20-10-13-35(36)28(27(20)33-25)26-22(29)4-3-5-23(26)30/h3-7,10,13-17H,8-9,11-12H2,1-2H3
InChIKeyHDPCEXDRJITRPB-UHFFFAOYSA-N
XLogP7.38
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.43
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-2-(1-propan-2-ylpiperidin-4-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 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-2-(1-propan-2-ylpiperidin-4-yl)-1,7-naphthyridin-7-ium?
The IUPAC name of 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-2-(1-propan-2-ylpiperidin-4-yl)-1,7-naphthyridin-7-ium (CID 24896996) is 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-2-(1-propan-2-ylpiperidin-4-yl)-1,7-naphthyridin-7-ium.
What is the SMILES notation for 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-2-(1-propan-2-ylpiperidin-4-yl)-1,7-naphthyridin-7-ium?
The canonical SMILES for 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-2-(1-propan-2-ylpiperidin-4-yl)-1,7-naphthyridin-7-ium is CC(C)N1CCC(c2cc(-c3ccc(F)cc3F)c3cc[n+]([O-])c(-c4c(Cl)cccc4Cl)c3n2)CC1.
What is the InChIKey of 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-2-(1-propan-2-ylpiperidin-4-yl)-1,7-naphthyridin-7-ium?
The InChIKey is HDPCEXDRJITRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25Cl2F2N3O/c1-16(2)34-11-8-17(9-12-34)25-15-21(19-7-6-18(31)14-24(19)32)20-10-13-35(36)28(27(20)33-25)26-22(29)4-3-5-23(26)30/h3-7,10,13-17H,8-9,11-12H2,1-2H3.
What are the key properties of 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-2-(1-propan-2-ylpiperidin-4-yl)-1,7-naphthyridin-7-ium?
8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-7-oxido-2-(1-propan-2-ylpiperidin-4-yl)-1,7-naphthyridin-7-ium has a molecular weight of 528.43 g/mol, XLogP of 7.38, 4 rotatable bonds, 0 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-(1-propan-2-ylpiperidin-4-yl)-1,7-naphthyridin-7-ium is sourced from PubChem (CID 24896996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).