2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-propyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)acetamide

C17H25N3O3S — CID 127912645

IUPAC2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-propyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)acetamide
SMILESCCCN(C(=O)CN1CCCS1(=O)=O)C1CCCc2cccnc21
InChIInChI=1S/C17H25N3O3S/c1-2-10-20(16(21)13-19-11-5-12-24(19,22)23)15-8-3-6-14-7-4-9-18-17(14)15/h4,7,9,15H,2-3,5-6,8,10-13H2,1H3
InChIKeyLATKVJSKCTVCCG-UHFFFAOYSA-N
MW351.47 g/mol
LogP1.73
Rot. Bonds5

About 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-propyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)acetamide

2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-propyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)acetamide (PubChem CID 127912645) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-propyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-propyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)acetamide
PubChem CID127912645
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-propyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)acetamide
SMILESCCCN(C(=O)CN1CCCS1(=O)=O)C1CCCc2cccnc21
InChIInChI=1S/C17H25N3O3S/c1-2-10-20(16(21)13-19-11-5-12-24(19,22)23)15-8-3-6-14-7-4-9-18-17(14)15/h4,7,9,15H,2-3,5-6,8,10-13H2,1H3
InChIKeyLATKVJSKCTVCCG-UHFFFAOYSA-N
XLogP1.73
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-propyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)acetamide with MolForge

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Related Compounds

1-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hydrazine
CID 126714376
N-(2-methoxyethyl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)but-2-ynamide
CID 146083735
4-chloro-N-ethyl-1-methyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazole-5-carboxamide
CID 138035150
N-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 59176406
4-[3-[(2-methylpropan-2-yl)oxycarbonyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]propyl]piperazine-1-carboxylic acid
CID 175854802
N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]propanamide
CID 165447452
N-(5,6,7,8-tetrahydroquinolin-8-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 122138613
N-(piperidin-3-ylmethyl)-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 120853583
N-ethyl-4-fluoro-3-methylsulfonyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzamide
CID 126807154
2,4-dimethyl-N-pentan-3-yl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]-1,3-oxazole-5-carboxamide
CID 124874416
5-[[propyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1,3-thiazol-2-amine
CID 120904816
2,5-dimethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 97258354

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-propyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)acetamide?
The IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-propyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)acetamide (CID 127912645) is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-propyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-propyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-propyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)acetamide is CCCN(C(=O)CN1CCCS1(=O)=O)C1CCCc2cccnc21.
What is the InChIKey of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-propyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)acetamide?
The InChIKey is LATKVJSKCTVCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-2-10-20(16(21)13-19-11-5-12-24(19,22)23)15-8-3-6-14-7-4-9-18-17(14)15/h4,7,9,15H,2-3,5-6,8,10-13H2,1H3.
What are the key properties of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-propyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)acetamide?
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-propyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)acetamide has a molecular weight of 351.47 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-propyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)acetamide is sourced from PubChem (CID 127912645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).