2-(2-chloro-7-methoxyquinolin-3-yl)-3-[5-hydroxy-2-[(4-methylphenyl)diazenyl]phenyl]-1,3-thiazolidin-4-one

C26H21ClN4O3S — CID 135954811

About 2-(2-chloro-7-methoxyquinolin-3-yl)-3-[5-hydroxy-2-[(4-methylphenyl)diazenyl]phenyl]-1,3-thiazolidin-4-one

2-(2-chloro-7-methoxyquinolin-3-yl)-3-[5-hydroxy-2-[(4-methylphenyl)diazenyl]phenyl]-1,3-thiazolidin-4-one (PubChem CID 135954811) has the molecular formula C26H21ClN4O3S and a molecular weight of 505.00 g/mol. Its IUPAC name is 2-(2-chloro-7-methoxyquinolin-3-yl)-3-[5-hydroxy-2-[(4-methylphenyl)diazenyl]phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: 2-(2-chloro-7-methoxyquinolin-3-yl)-3-[5-hydroxy-2-[(4-methylphenyl)diazenyl]phenyl]-1,3-thiazolidin-4-one
• PubChem CID: 135954811
• Molecular Formula: C26H21ClN4O3S
• Molecular Weight: 505.00 g/mol
• Exact Mass: 504.10
• IUPAC Name: 2-(2-chloro-7-methoxyquinolin-3-yl)-3-[5-hydroxy-2-[(4-methylphenyl)diazenyl]phenyl]-1,3-thiazolidin-4-one
• SMILES: COc1ccc2cc(C3SCC(=O)N3c3cc(O)ccc3/N=N\c3ccc(C)cc3)c(Cl)nc2c1
• InChI: InChI=1S/C26H21ClN4O3S/c1-15-3-6-17(7-4-15)29-30-21-10-8-18(32)12-23(21)31-24(33)14-35-26(31)20-11-16-5-9-19(34-2)13-22(16)28-25(20)27/h3-13,26,32H,14H2,1-2H3/b30-29-
• InChIKey: BULZOJGSXKKDCF-FLWNBWAVSA-N
• XLogP: 7.10
• TPSA: 87.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.00
LogP ≤ 5	7.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-7-methoxyquinolin-3-yl)-3-[5-hydroxy-2-[(4-methylphenyl)diazenyl]phenyl]-1,3-thiazolidin-4-one?

The IUPAC name of 2-(2-chloro-7-methoxyquinolin-3-yl)-3-[5-hydroxy-2-[(4-methylphenyl)diazenyl]phenyl]-1,3-thiazolidin-4-one (CID 135954811) is 2-(2-chloro-7-methoxyquinolin-3-yl)-3-[5-hydroxy-2-[(4-methylphenyl)diazenyl]phenyl]-1,3-thiazolidin-4-one.

What is the SMILES notation for 2-(2-chloro-7-methoxyquinolin-3-yl)-3-[5-hydroxy-2-[(4-methylphenyl)diazenyl]phenyl]-1,3-thiazolidin-4-one?

The canonical SMILES for 2-(2-chloro-7-methoxyquinolin-3-yl)-3-[5-hydroxy-2-[(4-methylphenyl)diazenyl]phenyl]-1,3-thiazolidin-4-one is COc1ccc2cc(C3SCC(=O)N3c3cc(O)ccc3/N=N\c3ccc(C)cc3)c(Cl)nc2c1.

What is the InChIKey of 2-(2-chloro-7-methoxyquinolin-3-yl)-3-[5-hydroxy-2-[(4-methylphenyl)diazenyl]phenyl]-1,3-thiazolidin-4-one?

The InChIKey is BULZOJGSXKKDCF-FLWNBWAVSA-N. The full InChI is InChI=1S/C26H21ClN4O3S/c1-15-3-6-17(7-4-15)29-30-21-10-8-18(32)12-23(21)31-24(33)14-35-26(31)20-11-16-5-9-19(34-2)13-22(16)28-25(20)27/h3-13,26,32H,14H2,1-2H3/b30-29-.

What are the key properties of 2-(2-chloro-7-methoxyquinolin-3-yl)-3-[5-hydroxy-2-[(4-methylphenyl)diazenyl]phenyl]-1,3-thiazolidin-4-one?

2-(2-chloro-7-methoxyquinolin-3-yl)-3-[5-hydroxy-2-[(4-methylphenyl)diazenyl]phenyl]-1,3-thiazolidin-4-one has a molecular weight of 505.00 g/mol, XLogP of 7.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chloro-7-methoxyquinolin-3-yl)-3-[5-hydroxy-2-[(4-methylphenyl)diazenyl]phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135954811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).