(5Z)-2-[(2-chloro-6-methylphenyl)methylimino]-5-[(4-ethoxyquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one

C23H20ClN3O2S — CID 135489545

About (5Z)-2-[(2-chloro-6-methylphenyl)methylimino]-5-[(4-ethoxyquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one

(5Z)-2-[(2-chloro-6-methylphenyl)methylimino]-5-[(4-ethoxyquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135489545) has the molecular formula C23H20ClN3O2S and a molecular weight of 437.95 g/mol. Its IUPAC name is (5Z)-2-[(2-chloro-6-methylphenyl)methylimino]-5-[(4-ethoxyquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-2-[(2-chloro-6-methylphenyl)methylimino]-5-[(4-ethoxyquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one
• PubChem CID: 135489545
• Molecular Formula: C23H20ClN3O2S
• Molecular Weight: 437.95 g/mol
• Exact Mass: 437.10
• IUPAC Name: (5Z)-2-[(2-chloro-6-methylphenyl)methylimino]-5-[(4-ethoxyquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one
• SMILES: CCOc1ccnc2ccc(/C=C3\S/C(=N/Cc4c(C)cccc4Cl)NC3=O)cc12
• InChI: InChI=1S/C23H20ClN3O2S/c1-3-29-20-9-10-25-19-8-7-15(11-16(19)20)12-21-22(28)27-23(30-21)26-13-17-14(2)5-4-6-18(17)24/h4-12H,3,13H2,1-2H3,(H,26,27,28)/b21-12-
• InChIKey: UXOOHPPXPNNANM-MTJSOVHGSA-N
• XLogP: 5.36
• TPSA: 63.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.95
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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 (5Z)-2-[(2-chloro-6-methylphenyl)methylimino]-5-[(4-ethoxyquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-2-[(2-chloro-6-methylphenyl)methylimino]-5-[(4-ethoxyquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one (CID 135489545) is (5Z)-2-[(2-chloro-6-methylphenyl)methylimino]-5-[(4-ethoxyquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one.

What is the SMILES notation for (5Z)-2-[(2-chloro-6-methylphenyl)methylimino]-5-[(4-ethoxyquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one?

The canonical SMILES for (5Z)-2-[(2-chloro-6-methylphenyl)methylimino]-5-[(4-ethoxyquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one is CCOc1ccnc2ccc(/C=C3\S/C(=N/Cc4c(C)cccc4Cl)NC3=O)cc12.

What is the InChIKey of (5Z)-2-[(2-chloro-6-methylphenyl)methylimino]-5-[(4-ethoxyquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one?

The InChIKey is UXOOHPPXPNNANM-MTJSOVHGSA-N. The full InChI is InChI=1S/C23H20ClN3O2S/c1-3-29-20-9-10-25-19-8-7-15(11-16(19)20)12-21-22(28)27-23(30-21)26-13-17-14(2)5-4-6-18(17)24/h4-12H,3,13H2,1-2H3,(H,26,27,28)/b21-12-.

What are the key properties of (5Z)-2-[(2-chloro-6-methylphenyl)methylimino]-5-[(4-ethoxyquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one?

(5Z)-2-[(2-chloro-6-methylphenyl)methylimino]-5-[(4-ethoxyquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 437.95 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-2-[(2-chloro-6-methylphenyl)methylimino]-5-[(4-ethoxyquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135489545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).