(4E)-4-[(4-methoxy-3-propoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid

C25H25NO4 — CID 7946364

About (4E)-4-[(4-methoxy-3-propoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid

(4E)-4-[(4-methoxy-3-propoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid (PubChem CID 7946364) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is (4E)-4-[(4-methoxy-3-propoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid.

Molecular Properties

• Compound Name: (4E)-4-[(4-methoxy-3-propoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
• PubChem CID: 7946364
• Molecular Formula: C25H25NO4
• Molecular Weight: 403.48 g/mol
• Exact Mass: 403.18
• IUPAC Name: (4E)-4-[(4-methoxy-3-propoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
• SMILES: CCCOc1cc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)O)ccc1OC
• InChI: InChI=1S/C25H25NO4/c1-3-13-30-22-15-16(11-12-21(22)29-2)14-17-7-6-9-19-23(25(27)28)18-8-4-5-10-20(18)26-24(17)19/h4-5,8,10-12,14-15H,3,6-7,9,13H2,1-2H3,(H,27,28)/b17-14+
• InChIKey: SGWOSOHASLHBCP-SAPNQHFASA-N
• XLogP: 5.61
• TPSA: 68.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	403.48
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(4-methoxy-3-propoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid?

The IUPAC name of (4E)-4-[(4-methoxy-3-propoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid (CID 7946364) is (4E)-4-[(4-methoxy-3-propoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid.

What is the SMILES notation for (4E)-4-[(4-methoxy-3-propoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid?

The canonical SMILES for (4E)-4-[(4-methoxy-3-propoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid is CCCOc1cc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)O)ccc1OC.

What is the InChIKey of (4E)-4-[(4-methoxy-3-propoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid?

The InChIKey is SGWOSOHASLHBCP-SAPNQHFASA-N. The full InChI is InChI=1S/C25H25NO4/c1-3-13-30-22-15-16(11-12-21(22)29-2)14-17-7-6-9-19-23(25(27)28)18-8-4-5-10-20(18)26-24(17)19/h4-5,8,10-12,14-15H,3,6-7,9,13H2,1-2H3,(H,27,28)/b17-14+.

What are the key properties of (4E)-4-[(4-methoxy-3-propoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid?

(4E)-4-[(4-methoxy-3-propoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid has a molecular weight of 403.48 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4E)-4-[(4-methoxy-3-propoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid is sourced from PubChem (CID 7946364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).