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

C21H18N2O — CID 39230533

IUPAC2-(2,4-dimethylquinolin-3-yl)-N-(3-ethynylphenyl)acetamide
SMILESC#Cc1cccc(NC(=O)Cc2c(C)nc3ccccc3c2C)c1
InChIInChI=1S/C21H18N2O/c1-4-16-8-7-9-17(12-16)23-21(24)13-19-14(2)18-10-5-6-11-20(18)22-15(19)3/h1,5-12H,13H2,2-3H3,(H,23,24)
InChIKeyOQXHXYOBNFOYGX-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.01
Rot. Bonds3

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

2-(2,4-dimethylquinolin-3-yl)-N-(3-ethynylphenyl)acetamide (PubChem CID 39230533) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-(2,4-dimethylquinolin-3-yl)-N-(3-ethynylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylquinolin-3-yl)-N-(3-ethynylphenyl)acetamide
PubChem CID39230533
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name2-(2,4-dimethylquinolin-3-yl)-N-(3-ethynylphenyl)acetamide
SMILESC#Cc1cccc(NC(=O)Cc2c(C)nc3ccccc3c2C)c1
InChIInChI=1S/C21H18N2O/c1-4-16-8-7-9-17(12-16)23-21(24)13-19-14(2)18-10-5-6-11-20(18)22-15(19)3/h1,5-12H,13H2,2-3H3,(H,23,24)
InChIKeyOQXHXYOBNFOYGX-UHFFFAOYSA-N
XLogP4.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 55532542
2-(2,4-dimethylquinolin-3-yl)-N-pyridin-3-ylacetamide
CID 32789123
2-(2,4-dimethylquinolin-3-yl)-N-(4-iodophenyl)acetamide
CID 8886793
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 26364618
2-(2,4-dimethylquinolin-3-yl)-N-quinolin-3-ylacetamide
CID 18146501
N-(2-amino-2-oxoethyl)-3-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]benzamide
CID 36561953
N-[3-(3-cyanopropoxy)phenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 52698958
2-(2,4-dimethylquinolin-3-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 8852353
N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 8701267
2-(2,4-dimethylquinolin-3-yl)-N-(2-ethylphenyl)acetamide
CID 8839348
N-(2-bromophenyl)-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 31289097
N-(2-chloro-4-methylphenyl)-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 8885866

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylquinolin-3-yl)-N-(3-ethynylphenyl)acetamide?
The IUPAC name of 2-(2,4-dimethylquinolin-3-yl)-N-(3-ethynylphenyl)acetamide (CID 39230533) is 2-(2,4-dimethylquinolin-3-yl)-N-(3-ethynylphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethylquinolin-3-yl)-N-(3-ethynylphenyl)acetamide?
The canonical SMILES for 2-(2,4-dimethylquinolin-3-yl)-N-(3-ethynylphenyl)acetamide is C#Cc1cccc(NC(=O)Cc2c(C)nc3ccccc3c2C)c1.
What is the InChIKey of 2-(2,4-dimethylquinolin-3-yl)-N-(3-ethynylphenyl)acetamide?
The InChIKey is OQXHXYOBNFOYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c1-4-16-8-7-9-17(12-16)23-21(24)13-19-14(2)18-10-5-6-11-20(18)22-15(19)3/h1,5-12H,13H2,2-3H3,(H,23,24).
What are the key properties of 2-(2,4-dimethylquinolin-3-yl)-N-(3-ethynylphenyl)acetamide?
2-(2,4-dimethylquinolin-3-yl)-N-(3-ethynylphenyl)acetamide has a molecular weight of 314.39 g/mol, XLogP of 4.01, 3 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-(3-ethynylphenyl)acetamide is sourced from PubChem (CID 39230533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).