2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N,N-diethylacetamide

C16H19ClN2O2S — CID 3705478

IUPAC2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1cc(=O)n(C)c2cc(Cl)ccc12
InChIInChI=1S/C16H19ClN2O2S/c1-4-19(5-2)16(21)10-22-14-9-15(20)18(3)13-8-11(17)6-7-12(13)14/h6-9H,4-5,10H2,1-3H3
InChIKeyDXHKTNUZULUHCK-UHFFFAOYSA-N
MW338.86 g/mol
LogP3.15
Rot. Bonds5

About 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N,N-diethylacetamide

2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N,N-diethylacetamide (PubChem CID 3705478) has the molecular formula C16H19ClN2O2S and a molecular weight of 338.86 g/mol. Its IUPAC name is 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N,N-diethylacetamide
PubChem CID3705478
Molecular FormulaC16H19ClN2O2S
Molecular Weight338.86 g/mol
Exact Mass338.09
IUPAC Name2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1cc(=O)n(C)c2cc(Cl)ccc12
InChIInChI=1S/C16H19ClN2O2S/c1-4-19(5-2)16(21)10-22-14-9-15(20)18(3)13-8-11(17)6-7-12(13)14/h6-9H,4-5,10H2,1-3H3
InChIKeyDXHKTNUZULUHCK-UHFFFAOYSA-N
XLogP3.15
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N,N-diethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N,N-diethylacetamide?
The IUPAC name of 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N,N-diethylacetamide (CID 3705478) is 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N,N-diethylacetamide.
What is the SMILES notation for 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N,N-diethylacetamide?
The canonical SMILES for 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N,N-diethylacetamide is CCN(CC)C(=O)CSc1cc(=O)n(C)c2cc(Cl)ccc12.
What is the InChIKey of 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N,N-diethylacetamide?
The InChIKey is DXHKTNUZULUHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2S/c1-4-19(5-2)16(21)10-22-14-9-15(20)18(3)13-8-11(17)6-7-12(13)14/h6-9H,4-5,10H2,1-3H3.
What are the key properties of 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N,N-diethylacetamide?
2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N,N-diethylacetamide has a molecular weight of 338.86 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N,N-diethylacetamide is sourced from PubChem (CID 3705478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).