2-(2,6-dichlorophenyl)imino-5-[(4-piperazin-1-ylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one

C23H19Cl2N5OS — CID 136641671

About 2-(2,6-dichlorophenyl)imino-5-[(4-piperazin-1-ylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one

2-(2,6-dichlorophenyl)imino-5-[(4-piperazin-1-ylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 136641671) has the molecular formula C23H19Cl2N5OS and a molecular weight of 484.41 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)imino-5-[(4-piperazin-1-ylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: 2-(2,6-dichlorophenyl)imino-5-[(4-piperazin-1-ylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one
• PubChem CID: 136641671
• Molecular Formula: C23H19Cl2N5OS
• Molecular Weight: 484.41 g/mol
• Exact Mass: 483.07
• IUPAC Name: 2-(2,6-dichlorophenyl)imino-5-[(4-piperazin-1-ylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one
• SMILES: O=C1N/C(=N/c2c(Cl)cccc2Cl)SC1=Cc1ccc2nccc(N3CCNCC3)c2c1
• InChI: InChI=1S/C23H19Cl2N5OS/c24-16-2-1-3-17(25)21(16)28-23-29-22(31)20(32-23)13-14-4-5-18-15(12-14)19(6-7-27-18)30-10-8-26-9-11-30/h1-7,12-13,26H,8-11H2,(H,28,29,31)
• InChIKey: OADOUBORCVJMAB-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 69.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.41
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)imino-5-[(4-piperazin-1-ylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one?

The IUPAC name of 2-(2,6-dichlorophenyl)imino-5-[(4-piperazin-1-ylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one (CID 136641671) is 2-(2,6-dichlorophenyl)imino-5-[(4-piperazin-1-ylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one.

What is the SMILES notation for 2-(2,6-dichlorophenyl)imino-5-[(4-piperazin-1-ylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one?

The canonical SMILES for 2-(2,6-dichlorophenyl)imino-5-[(4-piperazin-1-ylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N/c2c(Cl)cccc2Cl)SC1=Cc1ccc2nccc(N3CCNCC3)c2c1.

What is the InChIKey of 2-(2,6-dichlorophenyl)imino-5-[(4-piperazin-1-ylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one?

The InChIKey is OADOUBORCVJMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N5OS/c24-16-2-1-3-17(25)21(16)28-23-29-22(31)20(32-23)13-14-4-5-18-15(12-14)19(6-7-27-18)30-10-8-26-9-11-30/h1-7,12-13,26H,8-11H2,(H,28,29,31).

What are the key properties of 2-(2,6-dichlorophenyl)imino-5-[(4-piperazin-1-ylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one?

2-(2,6-dichlorophenyl)imino-5-[(4-piperazin-1-ylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 484.41 g/mol, XLogP of 4.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dichlorophenyl)imino-5-[(4-piperazin-1-ylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 136641671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).