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

C18H22N2O3S — CID 3238690

IUPAC2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide
SMILESCCn1c(=O)cc(SCC(=O)NCC2CCCO2)c2ccccc21
InChIInChI=1S/C18H22N2O3S/c1-2-20-15-8-4-3-7-14(15)16(10-18(20)22)24-12-17(21)19-11-13-6-5-9-23-13/h3-4,7-8,10,13H,2,5-6,9,11-12H2,1H3,(H,19,21)
InChIKeyAWJOWTBUDMWKRZ-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.41
Rot. Bonds6

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

2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3238690) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3238690
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide
SMILESCCn1c(=O)cc(SCC(=O)NCC2CCCO2)c2ccccc21
InChIInChI=1S/C18H22N2O3S/c1-2-20-15-8-4-3-7-14(15)16(10-18(20)22)24-12-17(21)19-11-13-6-5-9-23-13/h3-4,7-8,10,13H,2,5-6,9,11-12H2,1H3,(H,19,21)
InChIKeyAWJOWTBUDMWKRZ-UHFFFAOYSA-N
XLogP2.41
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide (CID 3238690) is 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide is CCn1c(=O)cc(SCC(=O)NCC2CCCO2)c2ccccc21.
What is the InChIKey of 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is AWJOWTBUDMWKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-2-20-15-8-4-3-7-14(15)16(10-18(20)22)24-12-17(21)19-11-13-6-5-9-23-13/h3-4,7-8,10,13H,2,5-6,9,11-12H2,1H3,(H,19,21).
What are the key properties of 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 346.45 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3238690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).