N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-quinolin-8-yloxyacetamide

C17H20N2O4S — CID 4575910

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-quinolin-8-yloxyacetamide
SMILESCCN(C(=O)COc1cccc2cccnc12)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H20N2O4S/c1-2-19(14-8-10-24(21,22)12-14)16(20)11-23-15-7-3-5-13-6-4-9-18-17(13)15/h3-7,9,14H,2,8,10-12H2,1H3
InChIKeyZNXQQENTKDOFRT-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.65
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-quinolin-8-yloxyacetamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-quinolin-8-yloxyacetamide (PubChem CID 4575910) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-quinolin-8-yloxyacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-quinolin-8-yloxyacetamide
PubChem CID4575910
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-quinolin-8-yloxyacetamide
SMILESCCN(C(=O)COc1cccc2cccnc12)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H20N2O4S/c1-2-19(14-8-10-24(21,22)12-14)16(20)11-23-15-7-3-5-13-6-4-9-18-17(13)15/h3-7,9,14H,2,8,10-12H2,1H3
InChIKeyZNXQQENTKDOFRT-UHFFFAOYSA-N
XLogP1.65
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-quinolin-8-yloxyacetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-quinolin-8-yloxyacetamide (CID 4575910) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-quinolin-8-yloxyacetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-quinolin-8-yloxyacetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-quinolin-8-yloxyacetamide is CCN(C(=O)COc1cccc2cccnc12)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-quinolin-8-yloxyacetamide?
The InChIKey is ZNXQQENTKDOFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-2-19(14-8-10-24(21,22)12-14)16(20)11-23-15-7-3-5-13-6-4-9-18-17(13)15/h3-7,9,14H,2,8,10-12H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-quinolin-8-yloxyacetamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-quinolin-8-yloxyacetamide has a molecular weight of 348.42 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-quinolin-8-yloxyacetamide is sourced from PubChem (CID 4575910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).