2-(2,4-dimethylquinolin-3-yl)-N-(2-phenoxyethyl)acetamide

C21H22N2O2 — CID 17393557

IUPAC2-(2,4-dimethylquinolin-3-yl)-N-(2-phenoxyethyl)acetamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)NCCOc1ccccc1
InChIInChI=1S/C21H22N2O2/c1-15-18-10-6-7-11-20(18)23-16(2)19(15)14-21(24)22-12-13-25-17-8-4-3-5-9-17/h3-11H,12-14H2,1-2H3,(H,22,24)
InChIKeyQYFDPTWCLYISFT-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.59
Rot. Bonds6

About 2-(2,4-dimethylquinolin-3-yl)-N-(2-phenoxyethyl)acetamide

2-(2,4-dimethylquinolin-3-yl)-N-(2-phenoxyethyl)acetamide (PubChem CID 17393557) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(2,4-dimethylquinolin-3-yl)-N-(2-phenoxyethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylquinolin-3-yl)-N-(2-phenoxyethyl)acetamide
PubChem CID17393557
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name2-(2,4-dimethylquinolin-3-yl)-N-(2-phenoxyethyl)acetamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)NCCOc1ccccc1
InChIInChI=1S/C21H22N2O2/c1-15-18-10-6-7-11-20(18)23-16(2)19(15)14-21(24)22-12-13-25-17-8-4-3-5-9-17/h3-11H,12-14H2,1-2H3,(H,22,24)
InChIKeyQYFDPTWCLYISFT-UHFFFAOYSA-N
XLogP3.59
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dimethylquinolin-3-yl)-N-[2-(2-methylphenoxy)ethyl]acetamide
CID 52706430
2-(2,4-dimethylquinolin-3-yl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 18160718
N-(2-benzylsulfanylethyl)-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 27861043
2-(2,4-dimethylquinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 27256543
N-[2-(benzylsulfamoyl)ethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 55726824
2-(2,4-dimethylquinolin-3-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
CID 8850901
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 18163674
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 134039609
2-(2,4-dimethylquinolin-3-yl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
CID 18113732
2-chloro-N'-[2-(2,4-dimethylquinolin-3-yl)acetyl]benzohydrazide
CID 32925933
2-(2,4-dimethylquinolin-3-yl)-N-pyridin-3-ylacetamide
CID 32789123
2-(2,4-dimethylquinolin-3-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
CID 111436050

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylquinolin-3-yl)-N-(2-phenoxyethyl)acetamide?
The IUPAC name of 2-(2,4-dimethylquinolin-3-yl)-N-(2-phenoxyethyl)acetamide (CID 17393557) is 2-(2,4-dimethylquinolin-3-yl)-N-(2-phenoxyethyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethylquinolin-3-yl)-N-(2-phenoxyethyl)acetamide?
The canonical SMILES for 2-(2,4-dimethylquinolin-3-yl)-N-(2-phenoxyethyl)acetamide is Cc1nc2ccccc2c(C)c1CC(=O)NCCOc1ccccc1.
What is the InChIKey of 2-(2,4-dimethylquinolin-3-yl)-N-(2-phenoxyethyl)acetamide?
The InChIKey is QYFDPTWCLYISFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-15-18-10-6-7-11-20(18)23-16(2)19(15)14-21(24)22-12-13-25-17-8-4-3-5-9-17/h3-11H,12-14H2,1-2H3,(H,22,24).
What are the key properties of 2-(2,4-dimethylquinolin-3-yl)-N-(2-phenoxyethyl)acetamide?
2-(2,4-dimethylquinolin-3-yl)-N-(2-phenoxyethyl)acetamide has a molecular weight of 334.42 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylquinolin-3-yl)-N-(2-phenoxyethyl)acetamide is sourced from PubChem (CID 17393557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).