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

C19H17IN2O — CID 8886793

IUPAC2-(2,4-dimethylquinolin-3-yl)-N-(4-iodophenyl)acetamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)Nc1ccc(I)cc1
InChIInChI=1S/C19H17IN2O/c1-12-16-5-3-4-6-18(16)21-13(2)17(12)11-19(23)22-15-9-7-14(20)8-10-15/h3-10H,11H2,1-2H3,(H,22,23)
InChIKeyZDKCYCVKBCDOKK-UHFFFAOYSA-N
MW416.26 g/mol
LogP4.64
Rot. Bonds3

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

2-(2,4-dimethylquinolin-3-yl)-N-(4-iodophenyl)acetamide (PubChem CID 8886793) has the molecular formula C19H17IN2O and a molecular weight of 416.26 g/mol. Its IUPAC name is 2-(2,4-dimethylquinolin-3-yl)-N-(4-iodophenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylquinolin-3-yl)-N-(4-iodophenyl)acetamide
PubChem CID8886793
Molecular FormulaC19H17IN2O
Molecular Weight416.26 g/mol
Exact Mass416.04
IUPAC Name2-(2,4-dimethylquinolin-3-yl)-N-(4-iodophenyl)acetamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)Nc1ccc(I)cc1
InChIInChI=1S/C19H17IN2O/c1-12-16-5-3-4-6-18(16)21-13(2)17(12)11-19(23)22-15-9-7-14(20)8-10-15/h3-10H,11H2,1-2H3,(H,22,23)
InChIKeyZDKCYCVKBCDOKK-UHFFFAOYSA-N
XLogP4.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.26
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 8701267
2-(2,4-dimethylquinolin-3-yl)-N-pyridin-3-ylacetamide
CID 32789123
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
2-(2,4-dimethylquinolin-3-yl)-N-(2-ethylphenyl)acetamide
CID 8839348
N-[3-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 55532542
N-(2-bromophenyl)-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 31289097
2-(2,4-dimethylquinolin-3-yl)-N-(3-ethynylphenyl)acetamide
CID 39230533
2-(2,4-dimethylquinolin-3-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 25337090
N-(2-chloro-4-methylphenyl)-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 8885866
2-(2,4-dimethylquinolin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30182174
2-(2,4-dimethylquinolin-3-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 32624129

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylquinolin-3-yl)-N-(4-iodophenyl)acetamide?
The IUPAC name of 2-(2,4-dimethylquinolin-3-yl)-N-(4-iodophenyl)acetamide (CID 8886793) is 2-(2,4-dimethylquinolin-3-yl)-N-(4-iodophenyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethylquinolin-3-yl)-N-(4-iodophenyl)acetamide?
The canonical SMILES for 2-(2,4-dimethylquinolin-3-yl)-N-(4-iodophenyl)acetamide is Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccc(I)cc1.
What is the InChIKey of 2-(2,4-dimethylquinolin-3-yl)-N-(4-iodophenyl)acetamide?
The InChIKey is ZDKCYCVKBCDOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17IN2O/c1-12-16-5-3-4-6-18(16)21-13(2)17(12)11-19(23)22-15-9-7-14(20)8-10-15/h3-10H,11H2,1-2H3,(H,22,23).
What are the key properties of 2-(2,4-dimethylquinolin-3-yl)-N-(4-iodophenyl)acetamide?
2-(2,4-dimethylquinolin-3-yl)-N-(4-iodophenyl)acetamide has a molecular weight of 416.26 g/mol, XLogP of 4.64, 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-(4-iodophenyl)acetamide is sourced from PubChem (CID 8886793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).