2,2-dimethyl-4-(2-oxo-3,4-dihydroquinolin-1-yl)butanethioamide

C15H20N2OS — CID 65249399

IUPAC2,2-dimethyl-4-(2-oxo-3,4-dihydroquinolin-1-yl)butanethioamide
SMILESCC(C)(CCN1C(=O)CCc2ccccc21)C(N)=S
InChIInChI=1S/C15H20N2OS/c1-15(2,14(16)19)9-10-17-12-6-4-3-5-11(12)7-8-13(17)18/h3-6H,7-10H2,1-2H3,(H2,16,19)
InChIKeyDMQGQCLYXKVKDD-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.67
Rot. Bonds4

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

2,2-dimethyl-4-(2-oxo-3,4-dihydroquinolin-1-yl)butanethioamide (PubChem CID 65249399) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 2,2-dimethyl-4-(2-oxo-3,4-dihydroquinolin-1-yl)butanethioamide.

Molecular Properties

Compound Name2,2-dimethyl-4-(2-oxo-3,4-dihydroquinolin-1-yl)butanethioamide
PubChem CID65249399
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name2,2-dimethyl-4-(2-oxo-3,4-dihydroquinolin-1-yl)butanethioamide
SMILESCC(C)(CCN1C(=O)CCc2ccccc21)C(N)=S
InChIInChI=1S/C15H20N2OS/c1-15(2,14(16)19)9-10-17-12-6-4-3-5-11(12)7-8-13(17)18/h3-6H,7-10H2,1-2H3,(H2,16,19)
InChIKeyDMQGQCLYXKVKDD-UHFFFAOYSA-N
XLogP2.67
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.67
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

3-(2-oxo-3,4-dihydroquinolin-1-yl)propanethioamide
CID 24704433
2,2-dimethyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanethioamide
CID 65248880
1-(2-chloroethyl)-3,4-dihydroquinolin-2-one
CID 12992360
1-ethyl-3,4-dihydroquinolin-2-one
CID 14580225
1-(4-hydroxybutyl)-3,4-dihydroquinolin-2-one
CID 43509835
methyl 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoate
CID 28940061
1-(2-amino-3,3-dimethylbutyl)-3,4-dihydroquinolin-2-one
CID 16792075
1-(5-aminopentyl)-3,4-dihydroquinolin-2-one
CID 54965763
1-hexyl-3,4-dihydroquinolin-2-one
CID 91805726
N'-hydroxy-2-(2-oxo-3,4-dihydroquinolin-1-yl)ethanimidamide
CID 141154790
3-(2,3-dihydroindol-1-yl)-2,2-dimethylpropanethioamide
CID 82116491
1-[(2S)-2-hydroxypropyl]-3,4-dihydroquinolin-2-one
CID 103935304

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(2-oxo-3,4-dihydroquinolin-1-yl)butanethioamide?
The IUPAC name of 2,2-dimethyl-4-(2-oxo-3,4-dihydroquinolin-1-yl)butanethioamide (CID 65249399) is 2,2-dimethyl-4-(2-oxo-3,4-dihydroquinolin-1-yl)butanethioamide.
What is the SMILES notation for 2,2-dimethyl-4-(2-oxo-3,4-dihydroquinolin-1-yl)butanethioamide?
The canonical SMILES for 2,2-dimethyl-4-(2-oxo-3,4-dihydroquinolin-1-yl)butanethioamide is CC(C)(CCN1C(=O)CCc2ccccc21)C(N)=S.
What is the InChIKey of 2,2-dimethyl-4-(2-oxo-3,4-dihydroquinolin-1-yl)butanethioamide?
The InChIKey is DMQGQCLYXKVKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-15(2,14(16)19)9-10-17-12-6-4-3-5-11(12)7-8-13(17)18/h3-6H,7-10H2,1-2H3,(H2,16,19).
What are the key properties of 2,2-dimethyl-4-(2-oxo-3,4-dihydroquinolin-1-yl)butanethioamide?
2,2-dimethyl-4-(2-oxo-3,4-dihydroquinolin-1-yl)butanethioamide has a molecular weight of 276.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(2-oxo-3,4-dihydroquinolin-1-yl)butanethioamide is sourced from PubChem (CID 65249399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).