7-chloro-3-(2-chlorophenyl)-1-[3-(dimethylamino)propylimino]-10-hydroxy-3,4-dihydro-2H-acridin-9-one

C24H25Cl2N3O2 — CID 546951

IUPAC7-chloro-3-(2-chlorophenyl)-1-[3-(dimethylamino)propylimino]-10-hydroxy-3,4-dihydro-2H-acridin-9-one
SMILESCN(C)CCC/N=C1\CC(c2ccccc2Cl)Cc2c1c(=O)c1cc(Cl)ccc1n2O
InChIInChI=1S/C24H25Cl2N3O2/c1-28(2)11-5-10-27-20-12-15(17-6-3-4-7-19(17)26)13-22-23(20)24(30)18-14-16(25)8-9-21(18)29(22)31/h3-4,6-9,14-15,31H,5,10-13H2,1-2H3/b27-20+
InChIKeyOYABROKXSDYMPR-NHFJDJAPSA-N
MW458.39 g/mol
LogP5.02
Rot. Bonds5

About 7-chloro-3-(2-chlorophenyl)-1-[3-(dimethylamino)propylimino]-10-hydroxy-3,4-dihydro-2H-acridin-9-one

7-chloro-3-(2-chlorophenyl)-1-[3-(dimethylamino)propylimino]-10-hydroxy-3,4-dihydro-2H-acridin-9-one (PubChem CID 546951) has the molecular formula C24H25Cl2N3O2 and a molecular weight of 458.39 g/mol. Its IUPAC name is 7-chloro-3-(2-chlorophenyl)-1-[3-(dimethylamino)propylimino]-10-hydroxy-3,4-dihydro-2H-acridin-9-one.

Molecular Properties

Compound Name7-chloro-3-(2-chlorophenyl)-1-[3-(dimethylamino)propylimino]-10-hydroxy-3,4-dihydro-2H-acridin-9-one
PubChem CID546951
Molecular FormulaC24H25Cl2N3O2
Molecular Weight458.39 g/mol
Exact Mass457.13
IUPAC Name7-chloro-3-(2-chlorophenyl)-1-[3-(dimethylamino)propylimino]-10-hydroxy-3,4-dihydro-2H-acridin-9-one
SMILESCN(C)CCC/N=C1\CC(c2ccccc2Cl)Cc2c1c(=O)c1cc(Cl)ccc1n2O
InChIInChI=1S/C24H25Cl2N3O2/c1-28(2)11-5-10-27-20-12-15(17-6-3-4-7-19(17)26)13-22-23(20)24(30)18-14-16(25)8-9-21(18)29(22)31/h3-4,6-9,14-15,31H,5,10-13H2,1-2H3/b27-20+
InChIKeyOYABROKXSDYMPR-NHFJDJAPSA-N
XLogP5.02
TPSA57.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.39
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(2-chlorophenyl)-1-[3-(dimethylamino)propylimino]-10-hydroxy-3,4-dihydro-2H-acridin-9-one?
The IUPAC name of 7-chloro-3-(2-chlorophenyl)-1-[3-(dimethylamino)propylimino]-10-hydroxy-3,4-dihydro-2H-acridin-9-one (CID 546951) is 7-chloro-3-(2-chlorophenyl)-1-[3-(dimethylamino)propylimino]-10-hydroxy-3,4-dihydro-2H-acridin-9-one.
What is the SMILES notation for 7-chloro-3-(2-chlorophenyl)-1-[3-(dimethylamino)propylimino]-10-hydroxy-3,4-dihydro-2H-acridin-9-one?
The canonical SMILES for 7-chloro-3-(2-chlorophenyl)-1-[3-(dimethylamino)propylimino]-10-hydroxy-3,4-dihydro-2H-acridin-9-one is CN(C)CCC/N=C1\CC(c2ccccc2Cl)Cc2c1c(=O)c1cc(Cl)ccc1n2O.
What is the InChIKey of 7-chloro-3-(2-chlorophenyl)-1-[3-(dimethylamino)propylimino]-10-hydroxy-3,4-dihydro-2H-acridin-9-one?
The InChIKey is OYABROKXSDYMPR-NHFJDJAPSA-N. The full InChI is InChI=1S/C24H25Cl2N3O2/c1-28(2)11-5-10-27-20-12-15(17-6-3-4-7-19(17)26)13-22-23(20)24(30)18-14-16(25)8-9-21(18)29(22)31/h3-4,6-9,14-15,31H,5,10-13H2,1-2H3/b27-20+.
What are the key properties of 7-chloro-3-(2-chlorophenyl)-1-[3-(dimethylamino)propylimino]-10-hydroxy-3,4-dihydro-2H-acridin-9-one?
7-chloro-3-(2-chlorophenyl)-1-[3-(dimethylamino)propylimino]-10-hydroxy-3,4-dihydro-2H-acridin-9-one has a molecular weight of 458.39 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(2-chlorophenyl)-1-[3-(dimethylamino)propylimino]-10-hydroxy-3,4-dihydro-2H-acridin-9-one is sourced from PubChem (CID 546951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).