2-(3-Ethynyl-8-methyl-quinolin-6-yloxy)-N-(2-methoxy-1-methyl-1-prop-2-ynyloxymethyl-ethyl)-2-methylsulfanyl-acetamide

HCID 86647252

Notes Reactions

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Basic information

Standard SMILES: C#CCOCC(C)(COC)NC(=O)C(Oc1cc(C)c2ncc(C#C)cc2c1)SC
InChIKey: FDUHFDXEDJTYHX-UHFFFAOYSA-N
Molecular formula: C23H26N2O4S
Average molar mass: 426.5 g/mol

Names & identifiers

Preferred name: 2-(3-Ethynyl-8-methyl-quinolin-6-yloxy)-N-(2-methoxy-1-methyl-1-prop-2-ynyloxymethyl-ethyl)-2-methylsulfanyl-acetamide
IUPAC: 2-(3-ethynyl-8-methylquinolin-6-yl)oxy-N-(1-methoxy-2-methyl-3-prop-2-ynoxypropan-2-yl)-2-methylsulfanylacetamide

Names & synonyms

SCHEMBL2863911FDUHFDXEDJTYHX-UHFFFAOYSA-N2-(3-Ethynyl-8-methyl-quinolin-6-yloxy)-N-(2-methoxy-1-methyl-1-prop-2-ynyloxymethyl-ethyl)-2-methylsulfanyl-acetamide

Database identifiers

PubChem CID: 86647252

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 95 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 11
Heavy atoms: 30
Formal charge: 0
Complexity: 669

Related reactions

2 records

New reaction record

HRID 91841As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 1962867As productuspto-grants-2013_04

Compound notes

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