N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide

C23H20Cl2N4O — CID 18289526

IUPACN-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C23H20Cl2N4O/c1-14-17-7-3-4-9-20(17)27-15(2)18(14)12-22(30)28-21-10-11-26-29(21)13-16-6-5-8-19(24)23(16)25/h3-11H,12-13H2,1-2H3,(H,28,30)
InChIKeyOQLZYOSYXIXLLV-UHFFFAOYSA-N
MW439.35 g/mol
LogP5.58
Rot. Bonds5

About N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide

N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide (PubChem CID 18289526) has the molecular formula C23H20Cl2N4O and a molecular weight of 439.35 g/mol. Its IUPAC name is N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide
PubChem CID18289526
Molecular FormulaC23H20Cl2N4O
Molecular Weight439.35 g/mol
Exact Mass438.10
IUPAC NameN-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C23H20Cl2N4O/c1-14-17-7-3-4-9-20(17)27-15(2)18(14)12-22(30)28-21-10-11-26-29(21)13-16-6-5-8-19(24)23(16)25/h3-11H,12-13H2,1-2H3,(H,28,30)
InChIKeyOQLZYOSYXIXLLV-UHFFFAOYSA-N
XLogP5.58
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.35
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-dimethylquinolin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30182174
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-methylphenyl)acetamide
CID 18096376
N-(2-cyclopentylpyrazol-3-yl)-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 78778300
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-phenylacetamide
CID 24525234
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
CID 55779858
2-(2,4-dimethylquinolin-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 55643238
2-(2,4-dimethylquinolin-3-yl)-N-(2-ethylphenyl)acetamide
CID 8839348
N-(2-chloro-4-methylphenyl)-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 8885866
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 24509765
2-chloro-N'-[2-(2,4-dimethylquinolin-3-yl)acetyl]benzohydrazide
CID 32925933
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-5-fluoro-2-methylbenzamide
CID 52544670
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 24509854

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide?
The IUPAC name of N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide (CID 18289526) is N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide.
What is the SMILES notation for N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide?
The canonical SMILES for N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide is Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl.
What is the InChIKey of N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide?
The InChIKey is OQLZYOSYXIXLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N4O/c1-14-17-7-3-4-9-20(17)27-15(2)18(14)12-22(30)28-21-10-11-26-29(21)13-16-6-5-8-19(24)23(16)25/h3-11H,12-13H2,1-2H3,(H,28,30).
What are the key properties of N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide?
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide has a molecular weight of 439.35 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide is sourced from PubChem (CID 18289526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).