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

C25H26Cl3N3O — CID 547192

IUPAC7-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2-methyl-2,3,4,10-tetrahydroacridin-9-one
SMILESCC1/C(=N\CCCN(C)C)c2c([nH]c3ccc(Cl)cc3c2=O)CC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C25H26Cl3N3O/c1-14-18(17-7-5-16(27)12-20(17)28)13-22-23(24(14)29-9-4-10-31(2)3)25(32)19-11-15(26)6-8-21(19)30-22/h5-8,11-12,14,18H,4,9-10,13H2,1-3H3,(H,30,32)/b29-24+
InChIKeyMQKTVSQJTRRSJU-RMLRFSFXSA-N
MW490.86 g/mol
LogP6.21
Rot. Bonds5

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

7-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2-methyl-2,3,4,10-tetrahydroacridin-9-one (PubChem CID 547192) has the molecular formula C25H26Cl3N3O and a molecular weight of 490.86 g/mol. Its IUPAC name is 7-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2-methyl-2,3,4,10-tetrahydroacridin-9-one.

Molecular Properties

Compound Name7-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2-methyl-2,3,4,10-tetrahydroacridin-9-one
PubChem CID547192
Molecular FormulaC25H26Cl3N3O
Molecular Weight490.86 g/mol
Exact Mass489.11
IUPAC Name7-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2-methyl-2,3,4,10-tetrahydroacridin-9-one
SMILESCC1/C(=N\CCCN(C)C)c2c([nH]c3ccc(Cl)cc3c2=O)CC1c1ccc(Cl)cc1Cl
InChIInChI=1S/C25H26Cl3N3O/c1-14-18(17-7-5-16(27)12-20(17)28)13-22-23(24(14)29-9-4-10-31(2)3)25(32)19-11-15(26)6-8-21(19)30-22/h5-8,11-12,14,18H,4,9-10,13H2,1-3H3,(H,30,32)/b29-24+
InChIKeyMQKTVSQJTRRSJU-RMLRFSFXSA-N
XLogP6.21
TPSA48.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.86
LogP ≤ 56.21
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 7-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2-methyl-2,3,4,10-tetrahydroacridin-9-one?
The IUPAC name of 7-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2-methyl-2,3,4,10-tetrahydroacridin-9-one (CID 547192) is 7-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2-methyl-2,3,4,10-tetrahydroacridin-9-one.
What is the SMILES notation for 7-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2-methyl-2,3,4,10-tetrahydroacridin-9-one?
The canonical SMILES for 7-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2-methyl-2,3,4,10-tetrahydroacridin-9-one is CC1/C(=N\CCCN(C)C)c2c([nH]c3ccc(Cl)cc3c2=O)CC1c1ccc(Cl)cc1Cl.
What is the InChIKey of 7-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2-methyl-2,3,4,10-tetrahydroacridin-9-one?
The InChIKey is MQKTVSQJTRRSJU-RMLRFSFXSA-N. The full InChI is InChI=1S/C25H26Cl3N3O/c1-14-18(17-7-5-16(27)12-20(17)28)13-22-23(24(14)29-9-4-10-31(2)3)25(32)19-11-15(26)6-8-21(19)30-22/h5-8,11-12,14,18H,4,9-10,13H2,1-3H3,(H,30,32)/b29-24+.
What are the key properties of 7-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2-methyl-2,3,4,10-tetrahydroacridin-9-one?
7-chloro-3-(2,4-dichlorophenyl)-1-[3-(dimethylamino)propylimino]-2-methyl-2,3,4,10-tetrahydroacridin-9-one has a molecular weight of 490.86 g/mol, XLogP of 6.21, 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-methyl-2,3,4,10-tetrahydroacridin-9-one is sourced from PubChem (CID 547192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).