5,5-dimethyl-3-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidin-4-one

C22H30N4OS — CID 10597030

IUPAC5,5-dimethyl-3-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidin-4-one
SMILESCC1(C)SCN(CCCCN2CCN(c3ccc4ccccc4n3)CC2)C1=O
InChIInChI=1S/C22H30N4OS/c1-22(2)21(27)26(17-28-22)12-6-5-11-24-13-15-25(16-14-24)20-10-9-18-7-3-4-8-19(18)23-20/h3-4,7-10H,5-6,11-17H2,1-2H3
InChIKeyLQKJNLJPXWCMKZ-UHFFFAOYSA-N
MW398.58 g/mol
LogP3.45
Rot. Bonds6

About 5,5-dimethyl-3-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidin-4-one

5,5-dimethyl-3-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidin-4-one (PubChem CID 10597030) has the molecular formula C22H30N4OS and a molecular weight of 398.58 g/mol. Its IUPAC name is 5,5-dimethyl-3-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5,5-dimethyl-3-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidin-4-one
PubChem CID10597030
Molecular FormulaC22H30N4OS
Molecular Weight398.58 g/mol
Exact Mass398.21
IUPAC Name5,5-dimethyl-3-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidin-4-one
SMILESCC1(C)SCN(CCCCN2CCN(c3ccc4ccccc4n3)CC2)C1=O
InChIInChI=1S/C22H30N4OS/c1-22(2)21(27)26(17-28-22)12-6-5-11-24-13-15-25(16-14-24)20-10-9-18-7-3-4-8-19(18)23-20/h3-4,7-10H,5-6,11-17H2,1-2H3
InChIKeyLQKJNLJPXWCMKZ-UHFFFAOYSA-N
XLogP3.45
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.58
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5,5-dimethyl-3-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

N-Methylquipazine
CID 5013
Kaspar
CID 10365638
2-(4-Propyl-piperazin-1-yl)-quinoline
CID 11370427
4-(4-Acetyl-1-piperazinyl)quinazoline
CID 594152
2-[4-(1-Ethyl-propyl)-piperazin-1-yl]-quinoline
CID 11314275
2-(4-Cyclopentylpiperazin-1-yl)quinoline
CID 11337173
2-(4-Isopropyl-piperazin-1-yl)-quinoline
CID 11393294
3-Amino-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-5,6,7-trihydro-3h-cyclopenta[d]pyrimidin-4-one
CID 23155834
Mesmar
CID 3025767
8-{4-[2-Methyl-4-(quinolin-2-yl)piperazin-1-yl]butyl}-8-azaspiro[4.5]decane-7,9-dione
CID 10003814
1-{4-[2-Methyl-4-(quinolin-2-yl)piperazin-1-yl]butyl}piperidine-2,6-dione
CID 25093401
2-(4-Methyl-piperazin-1-yl)-3-propyl-quinoline-4-carboxylic acid diethylamide
CID 11210859

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidin-4-one?
The IUPAC name of 5,5-dimethyl-3-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidin-4-one (CID 10597030) is 5,5-dimethyl-3-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 5,5-dimethyl-3-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 5,5-dimethyl-3-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidin-4-one is CC1(C)SCN(CCCCN2CCN(c3ccc4ccccc4n3)CC2)C1=O.
What is the InChIKey of 5,5-dimethyl-3-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidin-4-one?
The InChIKey is LQKJNLJPXWCMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4OS/c1-22(2)21(27)26(17-28-22)12-6-5-11-24-13-15-25(16-14-24)20-10-9-18-7-3-4-8-19(18)23-20/h3-4,7-10H,5-6,11-17H2,1-2H3.
What are the key properties of 5,5-dimethyl-3-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidin-4-one?
5,5-dimethyl-3-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidin-4-one has a molecular weight of 398.58 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 10597030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).