3-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidin-4-one

C20H26N4OS — CID 10619179

IUPAC3-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidin-4-one
SMILESO=C1CSCN1CCCCN1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C20H26N4OS/c25-20-15-26-16-24(20)10-4-3-9-22-11-13-23(14-12-22)19-8-7-17-5-1-2-6-18(17)21-19/h1-2,5-8H,3-4,9-16H2
InChIKeyYQHZHOKPYRZPNU-UHFFFAOYSA-N
MW370.52 g/mol
LogP2.67
Rot. Bonds6

About 3-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidin-4-one

3-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidin-4-one (PubChem CID 10619179) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is 3-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidin-4-one
PubChem CID10619179
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Name3-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidin-4-one
SMILESO=C1CSCN1CCCCN1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C20H26N4OS/c25-20-15-26-16-24(20)10-4-3-9-22-11-13-23(14-12-22)19-8-7-17-5-1-2-6-18(17)21-19/h1-2,5-8H,3-4,9-16H2
InChIKeyYQHZHOKPYRZPNU-UHFFFAOYSA-N
XLogP2.67
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidin-4-one (CID 10619179) is 3-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidin-4-one is O=C1CSCN1CCCCN1CCN(c2ccc3ccccc3n2)CC1.
What is the InChIKey of 3-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidin-4-one?
The InChIKey is YQHZHOKPYRZPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c25-20-15-26-16-24(20)10-4-3-9-22-11-13-23(14-12-22)19-8-7-17-5-1-2-6-18(17)21-19/h1-2,5-8H,3-4,9-16H2.
What are the key properties of 3-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidin-4-one?
3-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidin-4-one has a molecular weight of 370.52 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 10619179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).