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

C24H27N3O2S — CID 56946650

IUPAC3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2-phenyl-1,3-thiazolidin-4-one
SMILESCOc1cc(NC(C)CCCN2C(=O)CSC2c2ccccc2)c2ncccc2c1
InChIInChI=1S/C24H27N3O2S/c1-17(26-21-15-20(29-2)14-19-11-6-12-25-23(19)21)8-7-13-27-22(28)16-30-24(27)18-9-4-3-5-10-18/h3-6,9-12,14-15,17,24,26H,7-8,13,16H2,1-2H3
InChIKeyDJGMUGOXOLORHT-UHFFFAOYSA-N
MW421.57 g/mol
LogP5.10
Rot. Bonds8

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

3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2-phenyl-1,3-thiazolidin-4-one (PubChem CID 56946650) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is 3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2-phenyl-1,3-thiazolidin-4-one
PubChem CID56946650
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC Name3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2-phenyl-1,3-thiazolidin-4-one
SMILESCOc1cc(NC(C)CCCN2C(=O)CSC2c2ccccc2)c2ncccc2c1
InChIInChI=1S/C24H27N3O2S/c1-17(26-21-15-20(29-2)14-19-11-6-12-25-23(19)21)8-7-13-27-22(28)16-30-24(27)18-9-4-3-5-10-18/h3-6,9-12,14-15,17,24,26H,7-8,13,16H2,1-2H3
InChIKeyDJGMUGOXOLORHT-UHFFFAOYSA-N
XLogP5.10
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.57
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2-phenyl-1,3-thiazolidin-4-one (CID 56946650) is 3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2-phenyl-1,3-thiazolidin-4-one is COc1cc(NC(C)CCCN2C(=O)CSC2c2ccccc2)c2ncccc2c1.
What is the InChIKey of 3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2-phenyl-1,3-thiazolidin-4-one?
The InChIKey is DJGMUGOXOLORHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S/c1-17(26-21-15-20(29-2)14-19-11-6-12-25-23(19)21)8-7-13-27-22(28)16-30-24(27)18-9-4-3-5-10-18/h3-6,9-12,14-15,17,24,26H,7-8,13,16H2,1-2H3.
What are the key properties of 3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2-phenyl-1,3-thiazolidin-4-one?
3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2-phenyl-1,3-thiazolidin-4-one has a molecular weight of 421.57 g/mol, XLogP of 5.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 56946650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).