2-methoxy-N-(2-methylbut-3-yn-2-yl)-2-(3-methylsulfanylquinolin-6-yl)oxyacetamide

C18H20N2O3S — CID 88889415

IUPAC2-methoxy-N-(2-methylbut-3-yn-2-yl)-2-(3-methylsulfanylquinolin-6-yl)oxyacetamide
SMILESC#CC(C)(C)NC(=O)C(OC)Oc1ccc2ncc(SC)cc2c1
InChIInChI=1S/C18H20N2O3S/c1-6-18(2,3)20-16(21)17(22-4)23-13-7-8-15-12(9-13)10-14(24-5)11-19-15/h1,7-11,17H,2-5H3,(H,20,21)
InChIKeyQVPLBZBKXPWQDS-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.84
Rot. Bonds6

About 2-methoxy-N-(2-methylbut-3-yn-2-yl)-2-(3-methylsulfanylquinolin-6-yl)oxyacetamide

2-methoxy-N-(2-methylbut-3-yn-2-yl)-2-(3-methylsulfanylquinolin-6-yl)oxyacetamide (PubChem CID 88889415) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-methoxy-N-(2-methylbut-3-yn-2-yl)-2-(3-methylsulfanylquinolin-6-yl)oxyacetamide.

Molecular Properties

Compound Name2-methoxy-N-(2-methylbut-3-yn-2-yl)-2-(3-methylsulfanylquinolin-6-yl)oxyacetamide
PubChem CID88889415
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name2-methoxy-N-(2-methylbut-3-yn-2-yl)-2-(3-methylsulfanylquinolin-6-yl)oxyacetamide
SMILESC#CC(C)(C)NC(=O)C(OC)Oc1ccc2ncc(SC)cc2c1
InChIInChI=1S/C18H20N2O3S/c1-6-18(2,3)20-16(21)17(22-4)23-13-7-8-15-12(9-13)10-14(24-5)11-19-15/h1,7-11,17H,2-5H3,(H,20,21)
InChIKeyQVPLBZBKXPWQDS-UHFFFAOYSA-N
XLogP2.84
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-methylbut-3-yn-2-yl)-2-(3-methylsulfanylquinolin-6-yl)oxyacetamide?
The IUPAC name of 2-methoxy-N-(2-methylbut-3-yn-2-yl)-2-(3-methylsulfanylquinolin-6-yl)oxyacetamide (CID 88889415) is 2-methoxy-N-(2-methylbut-3-yn-2-yl)-2-(3-methylsulfanylquinolin-6-yl)oxyacetamide.
What is the SMILES notation for 2-methoxy-N-(2-methylbut-3-yn-2-yl)-2-(3-methylsulfanylquinolin-6-yl)oxyacetamide?
The canonical SMILES for 2-methoxy-N-(2-methylbut-3-yn-2-yl)-2-(3-methylsulfanylquinolin-6-yl)oxyacetamide is C#CC(C)(C)NC(=O)C(OC)Oc1ccc2ncc(SC)cc2c1.
What is the InChIKey of 2-methoxy-N-(2-methylbut-3-yn-2-yl)-2-(3-methylsulfanylquinolin-6-yl)oxyacetamide?
The InChIKey is QVPLBZBKXPWQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-6-18(2,3)20-16(21)17(22-4)23-13-7-8-15-12(9-13)10-14(24-5)11-19-15/h1,7-11,17H,2-5H3,(H,20,21).
What are the key properties of 2-methoxy-N-(2-methylbut-3-yn-2-yl)-2-(3-methylsulfanylquinolin-6-yl)oxyacetamide?
2-methoxy-N-(2-methylbut-3-yn-2-yl)-2-(3-methylsulfanylquinolin-6-yl)oxyacetamide has a molecular weight of 344.44 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-methylbut-3-yn-2-yl)-2-(3-methylsulfanylquinolin-6-yl)oxyacetamide is sourced from PubChem (CID 88889415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).