2-(3-ethyl-8-methylquinolin-6-yl)oxy-N-(5-methoxy-2-methylpent-3-yn-2-yl)-2-methylsulfanylacetamide

C22H28N2O3S — CID 89499195

IUPAC2-(3-ethyl-8-methylquinolin-6-yl)oxy-N-(5-methoxy-2-methylpent-3-yn-2-yl)-2-methylsulfanylacetamide
SMILESCCc1cnc2c(C)cc(OC(SC)C(=O)NC(C)(C)C#CCOC)cc2c1
InChIInChI=1S/C22H28N2O3S/c1-7-16-12-17-13-18(11-15(2)19(17)23-14-16)27-21(28-6)20(25)24-22(3,4)9-8-10-26-5/h11-14,21H,7,10H2,1-6H3,(H,24,25)
InChIKeyFVUGECQZDJGJLX-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.72
Rot. Bonds7

About 2-(3-ethyl-8-methylquinolin-6-yl)oxy-N-(5-methoxy-2-methylpent-3-yn-2-yl)-2-methylsulfanylacetamide

2-(3-ethyl-8-methylquinolin-6-yl)oxy-N-(5-methoxy-2-methylpent-3-yn-2-yl)-2-methylsulfanylacetamide (PubChem CID 89499195) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is 2-(3-ethyl-8-methylquinolin-6-yl)oxy-N-(5-methoxy-2-methylpent-3-yn-2-yl)-2-methylsulfanylacetamide.

Molecular Properties

Compound Name2-(3-ethyl-8-methylquinolin-6-yl)oxy-N-(5-methoxy-2-methylpent-3-yn-2-yl)-2-methylsulfanylacetamide
PubChem CID89499195
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name2-(3-ethyl-8-methylquinolin-6-yl)oxy-N-(5-methoxy-2-methylpent-3-yn-2-yl)-2-methylsulfanylacetamide
SMILESCCc1cnc2c(C)cc(OC(SC)C(=O)NC(C)(C)C#CCOC)cc2c1
InChIInChI=1S/C22H28N2O3S/c1-7-16-12-17-13-18(11-15(2)19(17)23-14-16)27-21(28-6)20(25)24-22(3,4)9-8-10-26-5/h11-14,21H,7,10H2,1-6H3,(H,24,25)
InChIKeyFVUGECQZDJGJLX-UHFFFAOYSA-N
XLogP3.72
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.72
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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Related Compounds

2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-pentylacetamide
CID 145976635
2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-(4-thiomorpholin-4-ylphenyl)acetamide
CID 168272079
N-(3,5-dimethylphenyl)-2-(6-methoxyquinolin-4-yl)oxyacetamide
CID 137636988
2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-prop-2-ynylacetamide
CID 145975153
2-(3,5-dimethylphenoxy)-N-quinolin-8-ylacetamide
CID 2219009
N-(4-methoxyphenyl)-2-quinolin-8-yloxyacetamide
CID 7893920
N-(3,5-dimethylphenyl)-2-quinolin-4-yloxyacetamide
CID 137648819
2-[(6-methoxy-2-methyl-4-quinolyl)oxy]-N-(3-pyridyl)acetamide
CID 155924077
N-[(3,5-dimethylphenyl)methyl]-2-[(6-methoxy-2-methyl-4-quinolyl)oxy]acetamide
CID 155924089
N-(3,5-dimethyl-4-pyridyl)-2-[(6-methoxy-2-methyl-4-quinolyl)oxy]acetamide
CID 155925006
2-[(6-methoxy-2-methyl-4-quinolyl)oxy]-N-(4-pyridyl)acetamide
CID 155925752
(2~{r})-2-(3-Ethynylquinolin-6-Yl)oxy-2-Methoxy-~{n}-[(1~{e})-1-Methoxyimino-2-Methyl-Propan-2-Yl]ethanamide
CID 129011278

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-8-methylquinolin-6-yl)oxy-N-(5-methoxy-2-methylpent-3-yn-2-yl)-2-methylsulfanylacetamide?
The IUPAC name of 2-(3-ethyl-8-methylquinolin-6-yl)oxy-N-(5-methoxy-2-methylpent-3-yn-2-yl)-2-methylsulfanylacetamide (CID 89499195) is 2-(3-ethyl-8-methylquinolin-6-yl)oxy-N-(5-methoxy-2-methylpent-3-yn-2-yl)-2-methylsulfanylacetamide.
What is the SMILES notation for 2-(3-ethyl-8-methylquinolin-6-yl)oxy-N-(5-methoxy-2-methylpent-3-yn-2-yl)-2-methylsulfanylacetamide?
The canonical SMILES for 2-(3-ethyl-8-methylquinolin-6-yl)oxy-N-(5-methoxy-2-methylpent-3-yn-2-yl)-2-methylsulfanylacetamide is CCc1cnc2c(C)cc(OC(SC)C(=O)NC(C)(C)C#CCOC)cc2c1.
What is the InChIKey of 2-(3-ethyl-8-methylquinolin-6-yl)oxy-N-(5-methoxy-2-methylpent-3-yn-2-yl)-2-methylsulfanylacetamide?
The InChIKey is FVUGECQZDJGJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-7-16-12-17-13-18(11-15(2)19(17)23-14-16)27-21(28-6)20(25)24-22(3,4)9-8-10-26-5/h11-14,21H,7,10H2,1-6H3,(H,24,25).
What are the key properties of 2-(3-ethyl-8-methylquinolin-6-yl)oxy-N-(5-methoxy-2-methylpent-3-yn-2-yl)-2-methylsulfanylacetamide?
2-(3-ethyl-8-methylquinolin-6-yl)oxy-N-(5-methoxy-2-methylpent-3-yn-2-yl)-2-methylsulfanylacetamide has a molecular weight of 400.54 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-8-methylquinolin-6-yl)oxy-N-(5-methoxy-2-methylpent-3-yn-2-yl)-2-methylsulfanylacetamide is sourced from PubChem (CID 89499195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).