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

C24H24Cl3N3O — CID 547198

IUPAC6-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2,3,4,10-tetrahydroacridin-9-one
SMILESCN(C)CCC/N=C1\CC(c2ccc(Cl)cc2Cl)Cc2[nH]c3cc(Cl)ccc3c(=O)c21
InChIInChI=1S/C24H24Cl3N3O/c1-30(2)9-3-8-28-21-10-14(17-6-4-15(25)12-19(17)27)11-22-23(21)24(31)18-7-5-16(26)13-20(18)29-22/h4-7,12-14H,3,8-11H2,1-2H3,(H,29,31)/b28-21+
InChIKeyAAWFFIKIQUOWQS-SGWCAAJKSA-N
MW476.84 g/mol
LogP5.96
Rot. Bonds5

About 6-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2,3,4,10-tetrahydroacridin-9-one

6-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2,3,4,10-tetrahydroacridin-9-one (PubChem CID 547198) has the molecular formula C24H24Cl3N3O and a molecular weight of 476.84 g/mol. Its IUPAC name is 6-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2,3,4,10-tetrahydroacridin-9-one.

Molecular Properties

Compound Name6-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2,3,4,10-tetrahydroacridin-9-one
PubChem CID547198
Molecular FormulaC24H24Cl3N3O
Molecular Weight476.84 g/mol
Exact Mass475.10
IUPAC Name6-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2,3,4,10-tetrahydroacridin-9-one
SMILESCN(C)CCC/N=C1\CC(c2ccc(Cl)cc2Cl)Cc2[nH]c3cc(Cl)ccc3c(=O)c21
InChIInChI=1S/C24H24Cl3N3O/c1-30(2)9-3-8-28-21-10-14(17-6-4-15(25)12-19(17)27)11-22-23(21)24(31)18-7-5-16(26)13-20(18)29-22/h4-7,12-14H,3,8-11H2,1-2H3,(H,29,31)/b28-21+
InChIKeyAAWFFIKIQUOWQS-SGWCAAJKSA-N
XLogP5.96
TPSA48.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.84
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2,3,4,10-tetrahydroacridin-9-one?
The IUPAC name of 6-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2,3,4,10-tetrahydroacridin-9-one (CID 547198) is 6-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2,3,4,10-tetrahydroacridin-9-one.
What is the SMILES notation for 6-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2,3,4,10-tetrahydroacridin-9-one?
The canonical SMILES for 6-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]c3cc(Cl)ccc3c(=O)c21.
What is the InChIKey of 6-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2,3,4,10-tetrahydroacridin-9-one?
The InChIKey is AAWFFIKIQUOWQS-SGWCAAJKSA-N. The full InChI is InChI=1S/C24H24Cl3N3O/c1-30(2)9-3-8-28-21-10-14(17-6-4-15(25)12-19(17)27)11-22-23(21)24(31)18-7-5-16(26)13-20(18)29-22/h4-7,12-14H,3,8-11H2,1-2H3,(H,29,31)/b28-21+.
What are the key properties of 6-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2,3,4,10-tetrahydroacridin-9-one?
6-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 6-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2,3,4,10-tetrahydroacridin-9-one is sourced from PubChem (CID 547198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).