7-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2,3,4,10-tetrahydroacridin-9-one

C24H24Cl3N3O — CID 547231

About 7-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2,3,4,10-tetrahydroacridin-9-one

7-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2,3,4,10-tetrahydroacridin-9-one (PubChem CID 547231) has the molecular formula C24H24Cl3N3O and a molecular weight of 476.84 g/mol. Its IUPAC name is 7-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2,3,4,10-tetrahydroacridin-9-one.

Molecular Properties

• Compound Name: 7-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2,3,4,10-tetrahydroacridin-9-one
• PubChem CID: 547231
• Molecular Formula: C24H24Cl3N3O
• Molecular Weight: 476.84 g/mol
• Exact Mass: 475.10
• IUPAC Name: 7-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2,3,4,10-tetrahydroacridin-9-one
• SMILES: CN(C)CCC/N=C1\CC(c2ccc(Cl)cc2Cl)Cc2[nH]c3ccc(Cl)cc3c(=O)c21
• InChI: InChI=1S/C24H24Cl3N3O/c1-30(2)9-3-8-28-21-10-14(17-6-4-16(26)13-19(17)27)11-22-23(21)24(31)18-12-15(25)5-7-20(18)29-22/h4-7,12-14H,3,8-11H2,1-2H3,(H,29,31)/b28-21+
• InChIKey: QPVVEWNCFBEZTH-SGWCAAJKSA-N
• XLogP: 5.96
• TPSA: 48.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.84
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2,3,4,10-tetrahydroacridin-9-one?

The IUPAC name of 7-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2,3,4,10-tetrahydroacridin-9-one (CID 547231) is 7-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2,3,4,10-tetrahydroacridin-9-one.

What is the SMILES notation for 7-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2,3,4,10-tetrahydroacridin-9-one?

The canonical SMILES for 7-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2,3,4,10-tetrahydroacridin-9-one is CN(C)CCC/N=C1\CC(c2ccc(Cl)cc2Cl)Cc2[nH]c3ccc(Cl)cc3c(=O)c21.

What is the InChIKey of 7-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2,3,4,10-tetrahydroacridin-9-one?

The InChIKey is QPVVEWNCFBEZTH-SGWCAAJKSA-N. The full InChI is InChI=1S/C24H24Cl3N3O/c1-30(2)9-3-8-28-21-10-14(17-6-4-16(26)13-19(17)27)11-22-23(21)24(31)18-12-15(25)5-7-20(18)29-22/h4-7,12-14H,3,8-11H2,1-2H3,(H,29,31)/b28-21+.

What are the key properties of 7-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2,3,4,10-tetrahydroacridin-9-one?

7-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2,3,4,10-tetrahydroacridin-9-one has a molecular weight of 476.84 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2,3,4,10-tetrahydroacridin-9-one is sourced from PubChem (CID 547231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).