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

C21H22N2O — CID 8839348

IUPAC2-(2,4-dimethylquinolin-3-yl)-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)Cc1c(C)nc2ccccc2c1C
InChIInChI=1S/C21H22N2O/c1-4-16-9-5-7-11-19(16)23-21(24)13-18-14(2)17-10-6-8-12-20(17)22-15(18)3/h5-12H,4,13H2,1-3H3,(H,23,24)
InChIKeyAGEPMJSBJVDUHL-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.60
Rot. Bonds4

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

2-(2,4-dimethylquinolin-3-yl)-N-(2-ethylphenyl)acetamide (PubChem CID 8839348) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(2,4-dimethylquinolin-3-yl)-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylquinolin-3-yl)-N-(2-ethylphenyl)acetamide
PubChem CID8839348
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name2-(2,4-dimethylquinolin-3-yl)-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)Cc1c(C)nc2ccccc2c1C
InChIInChI=1S/C21H22N2O/c1-4-16-9-5-7-11-19(16)23-21(24)13-18-14(2)17-10-6-8-12-20(17)22-15(18)3/h5-12H,4,13H2,1-3H3,(H,23,24)
InChIKeyAGEPMJSBJVDUHL-UHFFFAOYSA-N
XLogP4.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylquinolin-3-yl)-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-(2,4-dimethylquinolin-3-yl)-N-(2-ethylphenyl)acetamide (CID 8839348) is 2-(2,4-dimethylquinolin-3-yl)-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethylquinolin-3-yl)-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-(2,4-dimethylquinolin-3-yl)-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)Cc1c(C)nc2ccccc2c1C.
What is the InChIKey of 2-(2,4-dimethylquinolin-3-yl)-N-(2-ethylphenyl)acetamide?
The InChIKey is AGEPMJSBJVDUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-4-16-9-5-7-11-19(16)23-21(24)13-18-14(2)17-10-6-8-12-20(17)22-15(18)3/h5-12H,4,13H2,1-3H3,(H,23,24).
What are the key properties of 2-(2,4-dimethylquinolin-3-yl)-N-(2-ethylphenyl)acetamide?
2-(2,4-dimethylquinolin-3-yl)-N-(2-ethylphenyl)acetamide has a molecular weight of 318.42 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylquinolin-3-yl)-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 8839348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).