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

C21H15Cl2NO2 — CID 86767876

IUPAC(4Z)-4-[(3,4-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
SMILESO=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)c(Cl)c1)CCC2
InChIInChI=1S/C21H15Cl2NO2/c22-16-9-8-12(11-17(16)23)10-13-4-3-6-15-19(21(25)26)14-5-1-2-7-18(14)24-20(13)15/h1-2,5,7-11H,3-4,6H2,(H,25,26)/b13-10-
InChIKeyIZCYJOSBAPLKSB-RAXLEYEMSA-N
MW384.26 g/mol
LogP6.12
Rot. Bonds2

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

(4Z)-4-[(3,4-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid (PubChem CID 86767876) has the molecular formula C21H15Cl2NO2 and a molecular weight of 384.26 g/mol. Its IUPAC name is (4Z)-4-[(3,4-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid.

Molecular Properties

Compound Name(4Z)-4-[(3,4-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
PubChem CID86767876
Molecular FormulaC21H15Cl2NO2
Molecular Weight384.26 g/mol
Exact Mass383.05
IUPAC Name(4Z)-4-[(3,4-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
SMILESO=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)c(Cl)c1)CCC2
InChIInChI=1S/C21H15Cl2NO2/c22-16-9-8-12(11-17(16)23)10-13-4-3-6-15-19(21(25)26)14-5-1-2-7-18(14)24-20(13)15/h1-2,5,7-11H,3-4,6H2,(H,25,26)/b13-10-
InChIKeyIZCYJOSBAPLKSB-RAXLEYEMSA-N
XLogP6.12
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.26
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
(4E)-4-[(4-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 6245839
4-[(4-hydroxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 3748703
4-[(3-methylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 3377356
(4E)-4-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 135591214
(4Z)-4-(pyridin-3-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 51109672
(4E)-4-[(4-morpholin-4-ylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 7946308
(4-amino-3-cyano-2-oxopent-3-enyl) 4-[(3,4-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 3567839
(4E)-4-[(2,6-difluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 6107892
(4E)-4-[(4-methoxy-3-propoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 7946364
4-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 3958469

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(3,4-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid?
The IUPAC name of (4Z)-4-[(3,4-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid (CID 86767876) is (4Z)-4-[(3,4-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid.
What is the SMILES notation for (4Z)-4-[(3,4-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid?
The canonical SMILES for (4Z)-4-[(3,4-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid is O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)c(Cl)c1)CCC2.
What is the InChIKey of (4Z)-4-[(3,4-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid?
The InChIKey is IZCYJOSBAPLKSB-RAXLEYEMSA-N. The full InChI is InChI=1S/C21H15Cl2NO2/c22-16-9-8-12(11-17(16)23)10-13-4-3-6-15-19(21(25)26)14-5-1-2-7-18(14)24-20(13)15/h1-2,5,7-11H,3-4,6H2,(H,25,26)/b13-10-.
What are the key properties of (4Z)-4-[(3,4-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid?
(4Z)-4-[(3,4-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid has a molecular weight of 384.26 g/mol, XLogP of 6.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(3,4-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid is sourced from PubChem (CID 86767876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).