2-(3-ethynylquinolin-6-yl)oxy-2-methylsulfanyl-N-[1-(nitrosomethyl)cyclobutyl]acetamide

C19H19N3O3S — CID 91088136

IUPAC2-(3-ethynylquinolin-6-yl)oxy-2-methylsulfanyl-N-[1-(nitrosomethyl)cyclobutyl]acetamide
SMILESC#Cc1cnc2ccc(OC(SC)C(=O)NC3(CN=O)CCC3)cc2c1
InChIInChI=1S/C19H19N3O3S/c1-3-13-9-14-10-15(5-6-16(14)20-11-13)25-18(26-2)17(23)22-19(12-21-24)7-4-8-19/h1,5-6,9-11,18H,4,7-8,12H2,2H3,(H,22,23)
InChIKeyWNSWISUKRVOWPE-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.09
Rot. Bonds7

About 2-(3-ethynylquinolin-6-yl)oxy-2-methylsulfanyl-N-[1-(nitrosomethyl)cyclobutyl]acetamide

2-(3-ethynylquinolin-6-yl)oxy-2-methylsulfanyl-N-[1-(nitrosomethyl)cyclobutyl]acetamide (PubChem CID 91088136) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-(3-ethynylquinolin-6-yl)oxy-2-methylsulfanyl-N-[1-(nitrosomethyl)cyclobutyl]acetamide.

Molecular Properties

Compound Name2-(3-ethynylquinolin-6-yl)oxy-2-methylsulfanyl-N-[1-(nitrosomethyl)cyclobutyl]acetamide
PubChem CID91088136
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name2-(3-ethynylquinolin-6-yl)oxy-2-methylsulfanyl-N-[1-(nitrosomethyl)cyclobutyl]acetamide
SMILESC#Cc1cnc2ccc(OC(SC)C(=O)NC3(CN=O)CCC3)cc2c1
InChIInChI=1S/C19H19N3O3S/c1-3-13-9-14-10-15(5-6-16(14)20-11-13)25-18(26-2)17(23)22-19(12-21-24)7-4-8-19/h1,5-6,9-11,18H,4,7-8,12H2,2H3,(H,22,23)
InChIKeyWNSWISUKRVOWPE-UHFFFAOYSA-N
XLogP3.09
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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
N-(4-methoxyphenyl)-2-quinolin-8-yloxyacetamide
CID 7893920
2-[(6-methoxy-2-methyl-4-quinolyl)oxy]-N-(3-pyridyl)acetamide
CID 155924077
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
Quinolin-6-yloxyacetamide
CID 47453981
N-(1-acetylpiperidin-4-yl)-2-quinolin-6-yloxyacetamide
CID 53604898
2-(3-bromo-7-fluoroquinolin-6-yl)oxy-N-tert-butyl-2-methylsulfanylacetamide
CID 57470531
N-tert-butyl-2-(7-fluoro-3-iodoquinolin-6-yl)oxy-2-methylsulfanylacetamide
CID 57495744
2-(7-fluoro-3-thiophen-3-ylquinolin-6-yl)oxy-N-(5-methoxy-2-methylpent-3-yn-2-yl)-2-sulfanylpropanamide
CID 57495747

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethynylquinolin-6-yl)oxy-2-methylsulfanyl-N-[1-(nitrosomethyl)cyclobutyl]acetamide?
The IUPAC name of 2-(3-ethynylquinolin-6-yl)oxy-2-methylsulfanyl-N-[1-(nitrosomethyl)cyclobutyl]acetamide (CID 91088136) is 2-(3-ethynylquinolin-6-yl)oxy-2-methylsulfanyl-N-[1-(nitrosomethyl)cyclobutyl]acetamide.
What is the SMILES notation for 2-(3-ethynylquinolin-6-yl)oxy-2-methylsulfanyl-N-[1-(nitrosomethyl)cyclobutyl]acetamide?
The canonical SMILES for 2-(3-ethynylquinolin-6-yl)oxy-2-methylsulfanyl-N-[1-(nitrosomethyl)cyclobutyl]acetamide is C#Cc1cnc2ccc(OC(SC)C(=O)NC3(CN=O)CCC3)cc2c1.
What is the InChIKey of 2-(3-ethynylquinolin-6-yl)oxy-2-methylsulfanyl-N-[1-(nitrosomethyl)cyclobutyl]acetamide?
The InChIKey is WNSWISUKRVOWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-3-13-9-14-10-15(5-6-16(14)20-11-13)25-18(26-2)17(23)22-19(12-21-24)7-4-8-19/h1,5-6,9-11,18H,4,7-8,12H2,2H3,(H,22,23).
What are the key properties of 2-(3-ethynylquinolin-6-yl)oxy-2-methylsulfanyl-N-[1-(nitrosomethyl)cyclobutyl]acetamide?
2-(3-ethynylquinolin-6-yl)oxy-2-methylsulfanyl-N-[1-(nitrosomethyl)cyclobutyl]acetamide has a molecular weight of 369.45 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethynylquinolin-6-yl)oxy-2-methylsulfanyl-N-[1-(nitrosomethyl)cyclobutyl]acetamide is sourced from PubChem (CID 91088136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).