(4E)-4-[[4-(3,4-dichlorophenyl)phenyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid

C28H21Cl2NO2 — CID 171480887

IUPAC(4E)-4-[[4-(3,4-dichlorophenyl)phenyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid
SMILESCC1C/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)c2nc3ccccc3c(C(=O)O)c2C1
InChIInChI=1S/C28H21Cl2NO2/c1-16-12-20(14-17-6-8-18(9-7-17)19-10-11-23(29)24(30)15-19)27-22(13-16)26(28(32)33)21-4-2-3-5-25(21)31-27/h2-11,14-16H,12-13H2,1H3,(H,32,33)/b20-14+
InChIKeyASOHMPYYALYDMK-XSFVSMFZSA-N
MW474.39 g/mol
LogP8.03
Rot. Bonds3

About (4E)-4-[[4-(3,4-dichlorophenyl)phenyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid

(4E)-4-[[4-(3,4-dichlorophenyl)phenyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid (PubChem CID 171480887) has the molecular formula C28H21Cl2NO2 and a molecular weight of 474.39 g/mol. Its IUPAC name is (4E)-4-[[4-(3,4-dichlorophenyl)phenyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid.

Molecular Properties

Compound Name(4E)-4-[[4-(3,4-dichlorophenyl)phenyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid
PubChem CID171480887
Molecular FormulaC28H21Cl2NO2
Molecular Weight474.39 g/mol
Exact Mass473.09
IUPAC Name(4E)-4-[[4-(3,4-dichlorophenyl)phenyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid
SMILESCC1C/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)c2nc3ccccc3c(C(=O)O)c2C1
InChIInChI=1S/C28H21Cl2NO2/c1-16-12-20(14-17-6-8-18(9-7-17)19-10-11-23(29)24(30)15-19)27-22(13-16)26(28(32)33)21-4-2-3-5-25(21)31-27/h2-11,14-16H,12-13H2,1H3,(H,32,33)/b20-14+
InChIKeyASOHMPYYALYDMK-XSFVSMFZSA-N
XLogP8.03
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.39
LogP ≤ 58.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4E)-4-[[4-(3,4-dichlorophenyl)phenyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4E)-4-[[4-[2,6-dichloro-4-(trifluoromethyl)phenyl]phenyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 171480907
4-[(3-fluorophenyl)methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 4023473
(2R,4E)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate
CID 7062766
(4E)-2-methyl-4-[(3-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 45463969
(2R,4Z)-4-(furan-2-ylmethylidene)-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 7716509
3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
CID 5009990
(3Z)-3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
CID 75409701
(2R,4Z)-2-tert-butyl-4-[(4-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 92968853
(4Z)-4-[(3,4-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 86767876
(2S,4E)-4-[(2-methoxyphenyl)methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 7984804
4-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 4847960
4-(4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carbonyl)-1,4-diazepane-1-carboxamide
CID 72687319

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[[4-(3,4-dichlorophenyl)phenyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid?
The IUPAC name of (4E)-4-[[4-(3,4-dichlorophenyl)phenyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid (CID 171480887) is (4E)-4-[[4-(3,4-dichlorophenyl)phenyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid.
What is the SMILES notation for (4E)-4-[[4-(3,4-dichlorophenyl)phenyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid?
The canonical SMILES for (4E)-4-[[4-(3,4-dichlorophenyl)phenyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid is CC1C/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)c2nc3ccccc3c(C(=O)O)c2C1.
What is the InChIKey of (4E)-4-[[4-(3,4-dichlorophenyl)phenyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid?
The InChIKey is ASOHMPYYALYDMK-XSFVSMFZSA-N. The full InChI is InChI=1S/C28H21Cl2NO2/c1-16-12-20(14-17-6-8-18(9-7-17)19-10-11-23(29)24(30)15-19)27-22(13-16)26(28(32)33)21-4-2-3-5-25(21)31-27/h2-11,14-16H,12-13H2,1H3,(H,32,33)/b20-14+.
What are the key properties of (4E)-4-[[4-(3,4-dichlorophenyl)phenyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid?
(4E)-4-[[4-(3,4-dichlorophenyl)phenyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid has a molecular weight of 474.39 g/mol, XLogP of 8.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[[4-(3,4-dichlorophenyl)phenyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid is sourced from PubChem (CID 171480887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).