2-(4-methoxyphenyl)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-1,3-thiazolidin-4-one

C25H29N3O3S — CID 56946864

About 2-(4-methoxyphenyl)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-1,3-thiazolidin-4-one

2-(4-methoxyphenyl)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-1,3-thiazolidin-4-one (PubChem CID 56946864) has the molecular formula C25H29N3O3S and a molecular weight of 451.59 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: 2-(4-methoxyphenyl)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-1,3-thiazolidin-4-one
• PubChem CID: 56946864
• Molecular Formula: C25H29N3O3S
• Molecular Weight: 451.59 g/mol
• Exact Mass: 451.19
• IUPAC Name: 2-(4-methoxyphenyl)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-1,3-thiazolidin-4-one
• SMILES: COc1ccc(C2SCC(=O)N2CCCC(C)Nc2cc(OC)cc3cccnc23)cc1
• InChI: InChI=1S/C25H29N3O3S/c1-17(27-22-15-21(31-3)14-19-7-4-12-26-24(19)22)6-5-13-28-23(29)16-32-25(28)18-8-10-20(30-2)11-9-18/h4,7-12,14-15,17,25,27H,5-6,13,16H2,1-3H3
• InChIKey: YIHNXWFLEFVPAR-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 63.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.59
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-1,3-thiazolidin-4-one?

The IUPAC name of 2-(4-methoxyphenyl)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-1,3-thiazolidin-4-one (CID 56946864) is 2-(4-methoxyphenyl)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-1,3-thiazolidin-4-one.

What is the SMILES notation for 2-(4-methoxyphenyl)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-1,3-thiazolidin-4-one?

The canonical SMILES for 2-(4-methoxyphenyl)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-1,3-thiazolidin-4-one is COc1ccc(C2SCC(=O)N2CCCC(C)Nc2cc(OC)cc3cccnc23)cc1.

What is the InChIKey of 2-(4-methoxyphenyl)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-1,3-thiazolidin-4-one?

The InChIKey is YIHNXWFLEFVPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3S/c1-17(27-22-15-21(31-3)14-19-7-4-12-26-24(19)22)6-5-13-28-23(29)16-32-25(28)18-8-10-20(30-2)11-9-18/h4,7-12,14-15,17,25,27H,5-6,13,16H2,1-3H3.

What are the key properties of 2-(4-methoxyphenyl)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-1,3-thiazolidin-4-one?

2-(4-methoxyphenyl)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-1,3-thiazolidin-4-one has a molecular weight of 451.59 g/mol, XLogP of 5.11, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methoxyphenyl)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 56946864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).