(4E)-4-[(2,6-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate

C21H14Cl2NO2- — CID 7946327

IUPAC(4E)-4-[(2,6-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
SMILESO=C([O-])c1c2c(nc3ccccc13)/C(=C/c1c(Cl)cccc1Cl)CCC2
InChIInChI=1S/C21H15Cl2NO2/c22-16-8-4-9-17(23)15(16)11-12-5-3-7-14-19(21(25)26)13-6-1-2-10-18(13)24-20(12)14/h1-2,4,6,8-11H,3,5,7H2,(H,25,26)/p-1/b12-11+
InChIKeyDDNCWLFZZBFGGO-VAWYXSNFSA-M
MW383.25 g/mol
LogP4.78
Rot. Bonds2

About (4E)-4-[(2,6-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate

(4E)-4-[(2,6-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate (PubChem CID 7946327) has the molecular formula C21H14Cl2NO2- and a molecular weight of 383.25 g/mol. Its IUPAC name is (4E)-4-[(2,6-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate.

Molecular Properties

Compound Name(4E)-4-[(2,6-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
PubChem CID7946327
Molecular FormulaC21H14Cl2NO2-
Molecular Weight383.25 g/mol
Exact Mass382.04
IUPAC Name(4E)-4-[(2,6-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
SMILESO=C([O-])c1c2c(nc3ccccc13)/C(=C/c1c(Cl)cccc1Cl)CCC2
InChIInChI=1S/C21H15Cl2NO2/c22-16-8-4-9-17(23)15(16)11-12-5-3-7-14-19(21(25)26)13-6-1-2-10-18(13)24-20(12)14/h1-2,4,6,8-11H,3,5,7H2,(H,25,26)/p-1/b12-11+
InChIKeyDDNCWLFZZBFGGO-VAWYXSNFSA-M
XLogP4.78
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4E)-4-[(4-methylsulfanylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 7946324
(4E)-4-[(2,6-difluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 6107892
(4E)-4-[(4-methoxycarbonylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 7946332
(4Z)-4-[(3,4-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 86767876
3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
CID 71898615
(4E)-4-[(4-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 6245839
3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
CID 3665760
4-[(4-hydroxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 3748703
cyanomethyl 4-[(2,3-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 4008249
(4E)-4-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 135591214
(4E)-4-[(2,3-dichlorophenyl)methylidene]-2-methyl-2,3-dihydro-1H-benzo[b][1,6]naphthyridin-2-ium-10-carboxylate
CID 8864465
4-[(3-methylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 3377356

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(2,6-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate?
The IUPAC name of (4E)-4-[(2,6-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate (CID 7946327) is (4E)-4-[(2,6-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate.
What is the SMILES notation for (4E)-4-[(2,6-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate?
The canonical SMILES for (4E)-4-[(2,6-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate is O=C([O-])c1c2c(nc3ccccc13)/C(=C/c1c(Cl)cccc1Cl)CCC2.
What is the InChIKey of (4E)-4-[(2,6-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate?
The InChIKey is DDNCWLFZZBFGGO-VAWYXSNFSA-M. The full InChI is InChI=1S/C21H15Cl2NO2/c22-16-8-4-9-17(23)15(16)11-12-5-3-7-14-19(21(25)26)13-6-1-2-10-18(13)24-20(12)14/h1-2,4,6,8-11H,3,5,7H2,(H,25,26)/p-1/b12-11+.
What are the key properties of (4E)-4-[(2,6-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate?
(4E)-4-[(2,6-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate has a molecular weight of 383.25 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(2,6-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate is sourced from PubChem (CID 7946327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).