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

C26H26NO4- — CID 7946339

IUPAC(4E)-4-[(4-butoxy-3-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
SMILESCCCCOc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)[O-])cc1OC
InChIInChI=1S/C26H27NO4/c1-3-4-14-31-22-13-12-17(16-23(22)30-2)15-18-8-7-10-20-24(26(28)29)19-9-5-6-11-21(19)27-25(18)20/h5-6,9,11-13,15-16H,3-4,7-8,10,14H2,1-2H3,(H,28,29)/p-1/b18-15+
InChIKeyAIWIJKVTKKVPCN-OBGWFSINSA-M
MW416.50 g/mol
LogP4.66
Rot. Bonds7

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

(4E)-4-[(4-butoxy-3-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate (PubChem CID 7946339) has the molecular formula C26H26NO4- and a molecular weight of 416.50 g/mol. Its IUPAC name is (4E)-4-[(4-butoxy-3-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate.

Molecular Properties

Compound Name(4E)-4-[(4-butoxy-3-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
PubChem CID7946339
Molecular FormulaC26H26NO4-
Molecular Weight416.50 g/mol
Exact Mass416.19
IUPAC Name(4E)-4-[(4-butoxy-3-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
SMILESCCCCOc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)[O-])cc1OC
InChIInChI=1S/C26H27NO4/c1-3-4-14-31-22-13-12-17(16-23(22)30-2)15-18-8-7-10-20-24(26(28)29)19-9-5-6-11-21(19)27-25(18)20/h5-6,9,11-13,15-16H,3-4,7-8,10,14H2,1-2H3,(H,28,29)/p-1/b18-15+
InChIKeyAIWIJKVTKKVPCN-OBGWFSINSA-M
XLogP4.66
TPSA71.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4E)-4-[(4-butoxy-3-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate 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

4-[(4-butoxy-3-ethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 4275089
(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
(4E)-4-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 7946361
(4E)-4-[(4-methoxycarbonylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 7946332
cyanomethyl (4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 6535732
(4E)-4-[(4-methylsulfanylphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 7946324
(4E)-4-[(2,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 6524431
(3E)-3-[[3-methoxy-4-[(4-methoxycarbonylphenyl)methoxy]phenyl]methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
CID 6529094
[2-(cyclopropylamino)-2-oxoethyl] (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 6018077
(4E)-4-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 135591214
2-(4-methylphenoxy)ethyl 3-[(3,4-dimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 3367571

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(4-butoxy-3-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate?
The IUPAC name of (4E)-4-[(4-butoxy-3-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate (CID 7946339) is (4E)-4-[(4-butoxy-3-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate.
What is the SMILES notation for (4E)-4-[(4-butoxy-3-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate?
The canonical SMILES for (4E)-4-[(4-butoxy-3-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate is CCCCOc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)[O-])cc1OC.
What is the InChIKey of (4E)-4-[(4-butoxy-3-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate?
The InChIKey is AIWIJKVTKKVPCN-OBGWFSINSA-M. The full InChI is InChI=1S/C26H27NO4/c1-3-4-14-31-22-13-12-17(16-23(22)30-2)15-18-8-7-10-20-24(26(28)29)19-9-5-6-11-21(19)27-25(18)20/h5-6,9,11-13,15-16H,3-4,7-8,10,14H2,1-2H3,(H,28,29)/p-1/b18-15+.
What are the key properties of (4E)-4-[(4-butoxy-3-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate?
(4E)-4-[(4-butoxy-3-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate has a molecular weight of 416.50 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(4-butoxy-3-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate is sourced from PubChem (CID 7946339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).