2-(2,4-dimethylquinolin-3-yl)-N-quinolin-3-ylacetamide

C22H19N3O — CID 18146501

IUPAC2-(2,4-dimethylquinolin-3-yl)-N-quinolin-3-ylacetamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C22H19N3O/c1-14-18-8-4-6-10-21(18)24-15(2)19(14)12-22(26)25-17-11-16-7-3-5-9-20(16)23-13-17/h3-11,13H,12H2,1-2H3,(H,25,26)
InChIKeyAGFOOBUOJXJGQV-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.58
Rot. Bonds3

About 2-(2,4-dimethylquinolin-3-yl)-N-quinolin-3-ylacetamide

2-(2,4-dimethylquinolin-3-yl)-N-quinolin-3-ylacetamide (PubChem CID 18146501) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-(2,4-dimethylquinolin-3-yl)-N-quinolin-3-ylacetamide.

Molecular Properties

Compound Name2-(2,4-dimethylquinolin-3-yl)-N-quinolin-3-ylacetamide
PubChem CID18146501
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name2-(2,4-dimethylquinolin-3-yl)-N-quinolin-3-ylacetamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C22H19N3O/c1-14-18-8-4-6-10-21(18)24-15(2)19(14)12-22(26)25-17-11-16-7-3-5-9-20(16)23-13-17/h3-11,13H,12H2,1-2H3,(H,25,26)
InChIKeyAGFOOBUOJXJGQV-UHFFFAOYSA-N
XLogP4.58
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylquinolin-3-yl)-N-quinolin-3-ylacetamide?
The IUPAC name of 2-(2,4-dimethylquinolin-3-yl)-N-quinolin-3-ylacetamide (CID 18146501) is 2-(2,4-dimethylquinolin-3-yl)-N-quinolin-3-ylacetamide.
What is the SMILES notation for 2-(2,4-dimethylquinolin-3-yl)-N-quinolin-3-ylacetamide?
The canonical SMILES for 2-(2,4-dimethylquinolin-3-yl)-N-quinolin-3-ylacetamide is Cc1nc2ccccc2c(C)c1CC(=O)Nc1cnc2ccccc2c1.
What is the InChIKey of 2-(2,4-dimethylquinolin-3-yl)-N-quinolin-3-ylacetamide?
The InChIKey is AGFOOBUOJXJGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-14-18-8-4-6-10-21(18)24-15(2)19(14)12-22(26)25-17-11-16-7-3-5-9-20(16)23-13-17/h3-11,13H,12H2,1-2H3,(H,25,26).
What are the key properties of 2-(2,4-dimethylquinolin-3-yl)-N-quinolin-3-ylacetamide?
2-(2,4-dimethylquinolin-3-yl)-N-quinolin-3-ylacetamide has a molecular weight of 341.41 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylquinolin-3-yl)-N-quinolin-3-ylacetamide is sourced from PubChem (CID 18146501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).