2-(3-ethynylquinolin-6-yl)oxy-N-(4-methoxy-2-methylbutan-2-yl)-2-methylsulfanylacetamide

C20H24N2O3S — CID 59565419

IUPAC2-(3-ethynylquinolin-6-yl)oxy-N-(4-methoxy-2-methylbutan-2-yl)-2-methylsulfanylacetamide
SMILESC#Cc1cnc2ccc(OC(SC)C(=O)NC(C)(C)CCOC)cc2c1
InChIInChI=1S/C20H24N2O3S/c1-6-14-11-15-12-16(7-8-17(15)21-13-14)25-19(26-5)18(23)22-20(2,3)9-10-24-4/h1,7-8,11-13,19H,9-10H2,2-5H3,(H,22,23)
InChIKeyQYDYDVCZOHMCNY-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.22
Rot. Bonds8

About 2-(3-ethynylquinolin-6-yl)oxy-N-(4-methoxy-2-methylbutan-2-yl)-2-methylsulfanylacetamide

2-(3-ethynylquinolin-6-yl)oxy-N-(4-methoxy-2-methylbutan-2-yl)-2-methylsulfanylacetamide (PubChem CID 59565419) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-(3-ethynylquinolin-6-yl)oxy-N-(4-methoxy-2-methylbutan-2-yl)-2-methylsulfanylacetamide.

Molecular Properties

Compound Name2-(3-ethynylquinolin-6-yl)oxy-N-(4-methoxy-2-methylbutan-2-yl)-2-methylsulfanylacetamide
PubChem CID59565419
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name2-(3-ethynylquinolin-6-yl)oxy-N-(4-methoxy-2-methylbutan-2-yl)-2-methylsulfanylacetamide
SMILESC#Cc1cnc2ccc(OC(SC)C(=O)NC(C)(C)CCOC)cc2c1
InChIInChI=1S/C20H24N2O3S/c1-6-14-11-15-12-16(7-8-17(15)21-13-14)25-19(26-5)18(23)22-20(2,3)9-10-24-4/h1,7-8,11-13,19H,9-10H2,2-5H3,(H,22,23)
InChIKeyQYDYDVCZOHMCNY-UHFFFAOYSA-N
XLogP3.22
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.22
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

N-(2-cyanopropan-2-yl)-2-(3-ethynylquinolin-6-yl)oxy-2-methylsulfanylacetamide
CID 59565366
N-(1-ethoxyimino-2-methylpropan-2-yl)-2-(3-ethynylquinolin-6-yl)oxy-2-methylsulfanylacetamide
CID 87121958
2-(3-ethynylquinolin-6-yl)oxy-2-methylsulfanyl-N-(2-prop-2-ynoxypent-3-yn-2-yl)acetamide
CID 87564991
N-(1-ethoxy-2-methyl-3-prop-2-ynoxypropan-2-yl)-2-(3-ethynylquinolin-6-yl)oxy-2-methylsulfanylacetamide
CID 59565365
N-(2-amino-1-methoxypropan-2-yl)-2-[3-(3-methoxyprop-1-ynyl)quinolin-6-yl]oxy-2-methylsulfanylacetamide
CID 70834367
N-tert-butyl-2-[3-[3-(methoxymethoxy)prop-1-ynyl]quinolin-6-yl]oxy-2-methylsulfanylacetamide
CID 59565478
2-(3-ethynylquinolin-6-yl)oxy-2-methylsulfanyl-N-[1-(nitrosomethyl)cyclobutyl]acetamide
CID 91088136
7-chloro-N-[3-(3-ethynylquinolin-6-yl)oxy-3-methylsulfanylprop-1-en-2-yl]-2-methylhept-3-yn-2-amine
CID 89171428
2-(3-ethynyl-8-methylquinolin-6-yl)oxy-N-(1-methoxy-2-methylbut-3-yn-2-yl)-2-methylsulfanylacetamide
CID 59565441
2-(3-ethynyl-7-fluoroquinolin-6-yl)oxy-N-(2-methylpent-3-yn-2-yl)-2-methylsulfanylacetamide
CID 59565274
2-(8-bromo-3-ethynylquinolin-6-yl)oxy-N-(2-methylbut-3-yn-2-yl)-2-methylsulfanylacetamide
CID 59565479
2-(3-bromoquinolin-6-yl)oxy-N-[1-(2-fluoroethoxyimino)-2-methylpropan-2-yl]-2-methylsulfanylacetamide
CID 91610849

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethynylquinolin-6-yl)oxy-N-(4-methoxy-2-methylbutan-2-yl)-2-methylsulfanylacetamide?
The IUPAC name of 2-(3-ethynylquinolin-6-yl)oxy-N-(4-methoxy-2-methylbutan-2-yl)-2-methylsulfanylacetamide (CID 59565419) is 2-(3-ethynylquinolin-6-yl)oxy-N-(4-methoxy-2-methylbutan-2-yl)-2-methylsulfanylacetamide.
What is the SMILES notation for 2-(3-ethynylquinolin-6-yl)oxy-N-(4-methoxy-2-methylbutan-2-yl)-2-methylsulfanylacetamide?
The canonical SMILES for 2-(3-ethynylquinolin-6-yl)oxy-N-(4-methoxy-2-methylbutan-2-yl)-2-methylsulfanylacetamide is C#Cc1cnc2ccc(OC(SC)C(=O)NC(C)(C)CCOC)cc2c1.
What is the InChIKey of 2-(3-ethynylquinolin-6-yl)oxy-N-(4-methoxy-2-methylbutan-2-yl)-2-methylsulfanylacetamide?
The InChIKey is QYDYDVCZOHMCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-6-14-11-15-12-16(7-8-17(15)21-13-14)25-19(26-5)18(23)22-20(2,3)9-10-24-4/h1,7-8,11-13,19H,9-10H2,2-5H3,(H,22,23).
What are the key properties of 2-(3-ethynylquinolin-6-yl)oxy-N-(4-methoxy-2-methylbutan-2-yl)-2-methylsulfanylacetamide?
2-(3-ethynylquinolin-6-yl)oxy-N-(4-methoxy-2-methylbutan-2-yl)-2-methylsulfanylacetamide has a molecular weight of 372.49 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethynylquinolin-6-yl)oxy-N-(4-methoxy-2-methylbutan-2-yl)-2-methylsulfanylacetamide is sourced from PubChem (CID 59565419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).