2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide

C17H20N2O3S — CID 3245262

IUPAC2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide
SMILESCn1c(=O)cc(SCC(=O)NCC2CCCO2)c2ccccc21
InChIInChI=1S/C17H20N2O3S/c1-19-14-7-3-2-6-13(14)15(9-17(19)21)23-11-16(20)18-10-12-5-4-8-22-12/h2-3,6-7,9,12H,4-5,8,10-11H2,1H3,(H,18,20)
InChIKeyHXIDWMCRIXTQKG-UHFFFAOYSA-N
MW332.42 g/mol
LogP1.93
Rot. Bonds5

About 2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide

2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3245262) has the molecular formula C17H20N2O3S and a molecular weight of 332.42 g/mol. Its IUPAC name is 2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3245262
Molecular FormulaC17H20N2O3S
Molecular Weight332.42 g/mol
Exact Mass332.12
IUPAC Name2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide
SMILESCn1c(=O)cc(SCC(=O)NCC2CCCO2)c2ccccc21
InChIInChI=1S/C17H20N2O3S/c1-19-14-7-3-2-6-13(14)15(9-17(19)21)23-11-16(20)18-10-12-5-4-8-22-12/h2-3,6-7,9,12H,4-5,8,10-11H2,1H3,(H,18,20)
InChIKeyHXIDWMCRIXTQKG-UHFFFAOYSA-N
XLogP1.93
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide (CID 3245262) is 2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide is Cn1c(=O)cc(SCC(=O)NCC2CCCO2)c2ccccc21.
What is the InChIKey of 2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is HXIDWMCRIXTQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-19-14-7-3-2-6-13(14)15(9-17(19)21)23-11-16(20)18-10-12-5-4-8-22-12/h2-3,6-7,9,12H,4-5,8,10-11H2,1H3,(H,18,20).
What are the key properties of 2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 332.42 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3245262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).