N-(2-chloro-4-methylphenyl)-2-(2,4-dimethylquinolin-3-yl)acetamide

C20H19ClN2O — CID 8885866

IUPACN-(2-chloro-4-methylphenyl)-2-(2,4-dimethylquinolin-3-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2c(C)nc3ccccc3c2C)c(Cl)c1
InChIInChI=1S/C20H19ClN2O/c1-12-8-9-19(17(21)10-12)23-20(24)11-16-13(2)15-6-4-5-7-18(15)22-14(16)3/h4-10H,11H2,1-3H3,(H,23,24)
InChIKeyPXWAIPVISKONAJ-UHFFFAOYSA-N
MW338.84 g/mol
LogP4.99
Rot. Bonds3

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

N-(2-chloro-4-methylphenyl)-2-(2,4-dimethylquinolin-3-yl)acetamide (PubChem CID 8885866) has the molecular formula C20H19ClN2O and a molecular weight of 338.84 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-(2,4-dimethylquinolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-(2,4-dimethylquinolin-3-yl)acetamide
PubChem CID8885866
Molecular FormulaC20H19ClN2O
Molecular Weight338.84 g/mol
Exact Mass338.12
IUPAC NameN-(2-chloro-4-methylphenyl)-2-(2,4-dimethylquinolin-3-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2c(C)nc3ccccc3c2C)c(Cl)c1
InChIInChI=1S/C20H19ClN2O/c1-12-8-9-19(17(21)10-12)23-20(24)11-16-13(2)15-6-4-5-7-18(15)22-14(16)3/h4-10H,11H2,1-3H3,(H,23,24)
InChIKeyPXWAIPVISKONAJ-UHFFFAOYSA-N
XLogP4.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-(2,4-dimethylquinolin-3-yl)acetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-(2,4-dimethylquinolin-3-yl)acetamide (CID 8885866) is N-(2-chloro-4-methylphenyl)-2-(2,4-dimethylquinolin-3-yl)acetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-(2,4-dimethylquinolin-3-yl)acetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-(2,4-dimethylquinolin-3-yl)acetamide is Cc1ccc(NC(=O)Cc2c(C)nc3ccccc3c2C)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-(2,4-dimethylquinolin-3-yl)acetamide?
The InChIKey is PXWAIPVISKONAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O/c1-12-8-9-19(17(21)10-12)23-20(24)11-16-13(2)15-6-4-5-7-18(15)22-14(16)3/h4-10H,11H2,1-3H3,(H,23,24).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-(2,4-dimethylquinolin-3-yl)acetamide?
N-(2-chloro-4-methylphenyl)-2-(2,4-dimethylquinolin-3-yl)acetamide has a molecular weight of 338.84 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-(2,4-dimethylquinolin-3-yl)acetamide is sourced from PubChem (CID 8885866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).