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

C23H21NO3 — CID 7984804

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

(2S,4E)-4-[(2-methoxyphenyl)methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid (PubChem CID 7984804) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is (2S,4E)-4-[(2-methoxyphenyl)methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid.

Molecular Properties

• Compound Name: (2S,4E)-4-[(2-methoxyphenyl)methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid
• PubChem CID: 7984804
• Molecular Formula: C23H21NO3
• Molecular Weight: 359.43 g/mol
• Exact Mass: 359.15
• IUPAC Name: (2S,4E)-4-[(2-methoxyphenyl)methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid
• SMILES: COc1ccccc1/C=C1\C[C@H](C)Cc2c1nc1ccccc1c2C(=O)O
• InChI: InChI=1S/C23H21NO3/c1-14-11-16(13-15-7-3-6-10-20(15)27-2)22-18(12-14)21(23(25)26)17-8-4-5-9-19(17)24-22/h3-10,13-14H,11-12H2,1-2H3,(H,25,26)/b16-13+/t14-/m0/s1
• InChIKey: LVMJFZSQONUCBN-BXWAGETQSA-N
• XLogP: 5.06
• TPSA: 59.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	359.43
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of (2S,4E)-4-[(2-methoxyphenyl)methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid (CID 7984804) is (2S,4E)-4-[(2-methoxyphenyl)methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid.

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

The canonical SMILES for (2S,4E)-4-[(2-methoxyphenyl)methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid is COc1ccccc1/C=C1\C[C@H](C)Cc2c1nc1ccccc1c2C(=O)O.

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

The InChIKey is LVMJFZSQONUCBN-BXWAGETQSA-N. The full InChI is InChI=1S/C23H21NO3/c1-14-11-16(13-15-7-3-6-10-20(15)27-2)22-18(12-14)21(23(25)26)17-8-4-5-9-19(17)24-22/h3-10,13-14H,11-12H2,1-2H3,(H,25,26)/b16-13+/t14-/m0/s1.

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

(2S,4E)-4-[(2-methoxyphenyl)methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid has a molecular weight of 359.43 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4E)-4-[(2-methoxyphenyl)methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid is sourced from PubChem (CID 7984804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).