3-(2-oxo-3,4-dihydroquinolin-1-yl)propanethioamide

C12H14N2OS — CID 24704433

IUPAC3-(2-oxo-3,4-dihydroquinolin-1-yl)propanethioamide
SMILESNC(=S)CCN1C(=O)CCc2ccccc21
InChIInChI=1S/C12H14N2OS/c13-11(16)7-8-14-10-4-2-1-3-9(10)5-6-12(14)15/h1-4H,5-8H2,(H2,13,16)
InChIKeyDCTLNZRWZHJUKS-UHFFFAOYSA-N
MW234.32 g/mol
LogP1.64
Rot. Bonds3

About 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanethioamide

3-(2-oxo-3,4-dihydroquinolin-1-yl)propanethioamide (PubChem CID 24704433) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanethioamide.

Molecular Properties

Compound Name3-(2-oxo-3,4-dihydroquinolin-1-yl)propanethioamide
PubChem CID24704433
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name3-(2-oxo-3,4-dihydroquinolin-1-yl)propanethioamide
SMILESNC(=S)CCN1C(=O)CCc2ccccc21
InChIInChI=1S/C12H14N2OS/c13-11(16)7-8-14-10-4-2-1-3-9(10)5-6-12(14)15/h1-4H,5-8H2,(H2,13,16)
InChIKeyDCTLNZRWZHJUKS-UHFFFAOYSA-N
XLogP1.64
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-4-(2-oxo-3,4-dihydroquinolin-1-yl)butanethioamide
CID 65249399
3-(2,5-dioxopyrrolidin-1-yl)propanethioamide
CID 24709121
methyl 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoate
CID 28940061
1-(2-chloroethyl)-3,4-dihydroquinolin-2-one
CID 12992360
1-(4-hydroxybutyl)-3,4-dihydroquinolin-2-one
CID 43509835
1-(5-aminopentyl)-3,4-dihydroquinolin-2-one
CID 54965763
N'-hydroxy-2-(2-oxo-3,4-dihydroquinolin-1-yl)ethanimidamide
CID 141154790
4-(7-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)butanethioamide
CID 43243934
1-ethyl-3,4-dihydroquinolin-2-one
CID 14580225
1-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-3,4-dihydroquinolin-2-one
CID 111435932
1-hexyl-3,4-dihydroquinolin-2-one
CID 91805726
N-(2-amino-2-phenylethyl)-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide
CID 119527590

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanethioamide?
The IUPAC name of 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanethioamide (CID 24704433) is 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanethioamide.
What is the SMILES notation for 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanethioamide?
The canonical SMILES for 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanethioamide is NC(=S)CCN1C(=O)CCc2ccccc21.
What is the InChIKey of 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanethioamide?
The InChIKey is DCTLNZRWZHJUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c13-11(16)7-8-14-10-4-2-1-3-9(10)5-6-12(14)15/h1-4H,5-8H2,(H2,13,16).
What are the key properties of 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanethioamide?
3-(2-oxo-3,4-dihydroquinolin-1-yl)propanethioamide has a molecular weight of 234.32 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanethioamide is sourced from PubChem (CID 24704433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).