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

C30H28Cl3N3O — CID 547196

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

7-chloro-3-(3,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2-phenyl-2,3,4,10-tetrahydroacridin-9-one (PubChem CID 547196) has the molecular formula C30H28Cl3N3O and a molecular weight of 552.93 g/mol. Its IUPAC name is 7-chloro-3-(3,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2-phenyl-2,3,4,10-tetrahydroacridin-9-one.

Molecular Properties

• Compound Name: 7-chloro-3-(3,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2-phenyl-2,3,4,10-tetrahydroacridin-9-one
• PubChem CID: 547196
• Molecular Formula: C30H28Cl3N3O
• Molecular Weight: 552.93 g/mol
• Exact Mass: 551.13
• IUPAC Name: 7-chloro-3-(3,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2-phenyl-2,3,4,10-tetrahydroacridin-9-one
• SMILES: CN(C)CCC/N=C1/c2c([nH]c3ccc(Cl)cc3c2=O)CC(c2ccc(Cl)c(Cl)c2)C1c1ccccc1
• InChI: InChI=1S/C30H28Cl3N3O/c1-36(2)14-6-13-34-29-27(18-7-4-3-5-8-18)21(19-9-11-23(32)24(33)15-19)17-26-28(29)30(37)22-16-20(31)10-12-25(22)35-26/h3-5,7-12,15-16,21,27H,6,13-14,17H2,1-2H3,(H,35,37)/b34-29+
• InChIKey: XACVPVPUAJFURJ-RIHQVDFKSA-N
• XLogP: 7.35
• TPSA: 48.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	552.93
LogP ≤ 5	7.35
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-(3,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2-phenyl-2,3,4,10-tetrahydroacridin-9-one?

The IUPAC name of 7-chloro-3-(3,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2-phenyl-2,3,4,10-tetrahydroacridin-9-one (CID 547196) is 7-chloro-3-(3,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2-phenyl-2,3,4,10-tetrahydroacridin-9-one.

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

The canonical SMILES for 7-chloro-3-(3,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2-phenyl-2,3,4,10-tetrahydroacridin-9-one is CN(C)CCC/N=C1/c2c([nH]c3ccc(Cl)cc3c2=O)CC(c2ccc(Cl)c(Cl)c2)C1c1ccccc1.

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

The InChIKey is XACVPVPUAJFURJ-RIHQVDFKSA-N. The full InChI is InChI=1S/C30H28Cl3N3O/c1-36(2)14-6-13-34-29-27(18-7-4-3-5-8-18)21(19-9-11-23(32)24(33)15-19)17-26-28(29)30(37)22-16-20(31)10-12-25(22)35-26/h3-5,7-12,15-16,21,27H,6,13-14,17H2,1-2H3,(H,35,37)/b34-29+.

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

7-chloro-3-(3,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2-phenyl-2,3,4,10-tetrahydroacridin-9-one has a molecular weight of 552.93 g/mol, XLogP of 7.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-3-(3,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2-phenyl-2,3,4,10-tetrahydroacridin-9-one is sourced from PubChem (CID 547196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).