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

C25H26Cl3N3O — CID 559647

IUPAC7-chloro-3-(3,4-dichlorophenyl)-1-[2-(diethylamino)ethylimino]-2,3,4,10-tetrahydroacridin-9-one
SMILESCCN(CC)CC/N=C1\CC(c2ccc(Cl)c(Cl)c2)Cc2[nH]c3ccc(Cl)cc3c(=O)c21
InChIInChI=1S/C25H26Cl3N3O/c1-3-31(4-2)10-9-29-22-12-16(15-5-7-19(27)20(28)11-15)13-23-24(22)25(32)18-14-17(26)6-8-21(18)30-23/h5-8,11,14,16H,3-4,9-10,12-13H2,1-2H3,(H,30,32)/b29-22+
InChIKeyFSQFFEDJRBNIJT-QUPMIFSKSA-N
MW490.86 g/mol
LogP6.35
Rot. Bonds6

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

7-chloro-3-(3,4-dichlorophenyl)-1-[2-(diethylamino)ethylimino]-2,3,4,10-tetrahydroacridin-9-one (PubChem CID 559647) has the molecular formula C25H26Cl3N3O and a molecular weight of 490.86 g/mol. Its IUPAC name is 7-chloro-3-(3,4-dichlorophenyl)-1-[2-(diethylamino)ethylimino]-2,3,4,10-tetrahydroacridin-9-one.

Molecular Properties

Compound Name7-chloro-3-(3,4-dichlorophenyl)-1-[2-(diethylamino)ethylimino]-2,3,4,10-tetrahydroacridin-9-one
PubChem CID559647
Molecular FormulaC25H26Cl3N3O
Molecular Weight490.86 g/mol
Exact Mass489.11
IUPAC Name7-chloro-3-(3,4-dichlorophenyl)-1-[2-(diethylamino)ethylimino]-2,3,4,10-tetrahydroacridin-9-one
SMILESCCN(CC)CC/N=C1\CC(c2ccc(Cl)c(Cl)c2)Cc2[nH]c3ccc(Cl)cc3c(=O)c21
InChIInChI=1S/C25H26Cl3N3O/c1-3-31(4-2)10-9-29-22-12-16(15-5-7-19(27)20(28)11-15)13-23-24(22)25(32)18-14-17(26)6-8-21(18)30-23/h5-8,11,14,16H,3-4,9-10,12-13H2,1-2H3,(H,30,32)/b29-22+
InChIKeyFSQFFEDJRBNIJT-QUPMIFSKSA-N
XLogP6.35
TPSA48.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.86
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(3,4-dichlorophenyl)-1-[2-(diethylamino)ethylimino]-2,3,4,10-tetrahydroacridin-9-one?
The IUPAC name of 7-chloro-3-(3,4-dichlorophenyl)-1-[2-(diethylamino)ethylimino]-2,3,4,10-tetrahydroacridin-9-one (CID 559647) is 7-chloro-3-(3,4-dichlorophenyl)-1-[2-(diethylamino)ethylimino]-2,3,4,10-tetrahydroacridin-9-one.
What is the SMILES notation for 7-chloro-3-(3,4-dichlorophenyl)-1-[2-(diethylamino)ethylimino]-2,3,4,10-tetrahydroacridin-9-one?
The canonical SMILES for 7-chloro-3-(3,4-dichlorophenyl)-1-[2-(diethylamino)ethylimino]-2,3,4,10-tetrahydroacridin-9-one is CCN(CC)CC/N=C1\CC(c2ccc(Cl)c(Cl)c2)Cc2[nH]c3ccc(Cl)cc3c(=O)c21.
What is the InChIKey of 7-chloro-3-(3,4-dichlorophenyl)-1-[2-(diethylamino)ethylimino]-2,3,4,10-tetrahydroacridin-9-one?
The InChIKey is FSQFFEDJRBNIJT-QUPMIFSKSA-N. The full InChI is InChI=1S/C25H26Cl3N3O/c1-3-31(4-2)10-9-29-22-12-16(15-5-7-19(27)20(28)11-15)13-23-24(22)25(32)18-14-17(26)6-8-21(18)30-23/h5-8,11,14,16H,3-4,9-10,12-13H2,1-2H3,(H,30,32)/b29-22+.
What are the key properties of 7-chloro-3-(3,4-dichlorophenyl)-1-[2-(diethylamino)ethylimino]-2,3,4,10-tetrahydroacridin-9-one?
7-chloro-3-(3,4-dichlorophenyl)-1-[2-(diethylamino)ethylimino]-2,3,4,10-tetrahydroacridin-9-one has a molecular weight of 490.86 g/mol, XLogP of 6.35, 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-[2-(diethylamino)ethylimino]-2,3,4,10-tetrahydroacridin-9-one is sourced from PubChem (CID 559647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).