2-(3-ethylquinolin-6-yl)oxy-N-(5-methoxy-2-methylpent-3-yn-2-yl)butanamide

C22H28N2O3 — CID 89499119

IUPAC2-(3-ethylquinolin-6-yl)oxy-N-(5-methoxy-2-methylpent-3-yn-2-yl)butanamide
SMILESCCc1cnc2ccc(OC(CC)C(=O)NC(C)(C)C#CCOC)cc2c1
InChIInChI=1S/C22H28N2O3/c1-6-16-13-17-14-18(9-10-19(17)23-15-16)27-20(7-2)21(25)24-22(3,4)11-8-12-26-5/h9-10,13-15,20H,6-7,12H2,1-5H3,(H,24,25)
InChIKeyGJXRPBPQGHAIBD-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.50
Rot. Bonds7

About 2-(3-ethylquinolin-6-yl)oxy-N-(5-methoxy-2-methylpent-3-yn-2-yl)butanamide

2-(3-ethylquinolin-6-yl)oxy-N-(5-methoxy-2-methylpent-3-yn-2-yl)butanamide (PubChem CID 89499119) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(3-ethylquinolin-6-yl)oxy-N-(5-methoxy-2-methylpent-3-yn-2-yl)butanamide.

Molecular Properties

Compound Name2-(3-ethylquinolin-6-yl)oxy-N-(5-methoxy-2-methylpent-3-yn-2-yl)butanamide
PubChem CID89499119
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-(3-ethylquinolin-6-yl)oxy-N-(5-methoxy-2-methylpent-3-yn-2-yl)butanamide
SMILESCCc1cnc2ccc(OC(CC)C(=O)NC(C)(C)C#CCOC)cc2c1
InChIInChI=1S/C22H28N2O3/c1-6-16-13-17-14-18(9-10-19(17)23-15-16)27-20(7-2)21(25)24-22(3,4)11-8-12-26-5/h9-10,13-15,20H,6-7,12H2,1-5H3,(H,24,25)
InChIKeyGJXRPBPQGHAIBD-UHFFFAOYSA-N
XLogP3.50
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-(3-ethylquinolin-6-yl)oxy-N-(5-methoxy-2-methylpent-3-yn-2-yl)butanamide with MolForge

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Related Compounds

N-(2-cyano-1-methoxypropan-2-yl)-2-(3-ethylquinolin-6-yl)oxybutanamide
CID 89499424
N-(5-hydroxy-2-methylpent-3-yn-2-yl)-2-quinolin-6-yloxybutanamide
CID 11631239
2-(3-ethyl-8-methylquinolin-6-yl)oxy-N-(5-methoxy-2-methylpent-3-yn-2-yl)-2-methylsulfanylacetamide
CID 89499195
N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]-2-(3-methoxyquinolin-6-yl)oxybutanamide
CID 88889384
2-(3-bromo-8-ethylquinolin-6-yl)oxy-N-(5-methoxy-2-methylpent-3-yn-2-yl)-2-methylsulfanylacetamide
CID 68513096
N-(2-amino-1-methoxypropan-2-yl)-2-[3-(3-methoxyprop-1-ynyl)quinolin-6-yl]oxy-2-methylsulfanylacetamide
CID 70834367
2-[(5-chloro-3-pyridinyl)oxy]-N-(2-methylhept-3-yn-2-yl)butanamide
CID 21078391
N-tert-butyl-2-(4-ethylphenoxy)butanamide
CID 53288787
2-(3-ethoxy-8-methylquinolin-6-yl)oxy-N-(5-methoxy-2-methylpent-3-yn-2-yl)-2-methylsulfanylacetamide
CID 89432942
N-(5-methoxy-2-methylpent-3-yn-2-yl)-2-[3-(3-methoxyprop-1-ynyl)-8-methylquinolin-6-yl]oxy-2-methylsulfanylacetamide
CID 68763606
N-tert-butyl-2-[3-[3-(methoxymethoxy)prop-1-ynyl]quinolin-6-yl]oxy-2-methylsulfanylacetamide
CID 59565478
N-(2-cyanopropan-2-yl)-2-(3-ethynylquinolin-6-yl)oxy-2-methylsulfanylacetamide
CID 59565366

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylquinolin-6-yl)oxy-N-(5-methoxy-2-methylpent-3-yn-2-yl)butanamide?
The IUPAC name of 2-(3-ethylquinolin-6-yl)oxy-N-(5-methoxy-2-methylpent-3-yn-2-yl)butanamide (CID 89499119) is 2-(3-ethylquinolin-6-yl)oxy-N-(5-methoxy-2-methylpent-3-yn-2-yl)butanamide.
What is the SMILES notation for 2-(3-ethylquinolin-6-yl)oxy-N-(5-methoxy-2-methylpent-3-yn-2-yl)butanamide?
The canonical SMILES for 2-(3-ethylquinolin-6-yl)oxy-N-(5-methoxy-2-methylpent-3-yn-2-yl)butanamide is CCc1cnc2ccc(OC(CC)C(=O)NC(C)(C)C#CCOC)cc2c1.
What is the InChIKey of 2-(3-ethylquinolin-6-yl)oxy-N-(5-methoxy-2-methylpent-3-yn-2-yl)butanamide?
The InChIKey is GJXRPBPQGHAIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-6-16-13-17-14-18(9-10-19(17)23-15-16)27-20(7-2)21(25)24-22(3,4)11-8-12-26-5/h9-10,13-15,20H,6-7,12H2,1-5H3,(H,24,25).
What are the key properties of 2-(3-ethylquinolin-6-yl)oxy-N-(5-methoxy-2-methylpent-3-yn-2-yl)butanamide?
2-(3-ethylquinolin-6-yl)oxy-N-(5-methoxy-2-methylpent-3-yn-2-yl)butanamide has a molecular weight of 368.48 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylquinolin-6-yl)oxy-N-(5-methoxy-2-methylpent-3-yn-2-yl)butanamide is sourced from PubChem (CID 89499119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).