3-[2-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]phenoxy]propanamide

C22H23N3O3 — CID 60530589

IUPAC3-[2-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]phenoxy]propanamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)Nc1ccccc1OCCC(N)=O
InChIInChI=1S/C22H23N3O3/c1-14-16-7-3-4-8-18(16)24-15(2)17(14)13-22(27)25-19-9-5-6-10-20(19)28-12-11-21(23)26/h3-10H,11-13H2,1-2H3,(H2,23,26)(H,25,27)
InChIKeyAXNHEQXGOXWKCO-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.29
Rot. Bonds7

About 3-[2-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]phenoxy]propanamide

3-[2-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]phenoxy]propanamide (PubChem CID 60530589) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 3-[2-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]phenoxy]propanamide.

Molecular Properties

Compound Name3-[2-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]phenoxy]propanamide
PubChem CID60530589
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name3-[2-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]phenoxy]propanamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)Nc1ccccc1OCCC(N)=O
InChIInChI=1S/C22H23N3O3/c1-14-16-7-3-4-8-18(16)24-15(2)17(14)13-22(27)25-19-9-5-6-10-20(19)28-12-11-21(23)26/h3-10H,11-13H2,1-2H3,(H2,23,26)(H,25,27)
InChIKeyAXNHEQXGOXWKCO-UHFFFAOYSA-N
XLogP3.29
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]phenoxy]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]phenoxy]propanamide?
The IUPAC name of 3-[2-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]phenoxy]propanamide (CID 60530589) is 3-[2-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]phenoxy]propanamide.
What is the SMILES notation for 3-[2-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]phenoxy]propanamide?
The canonical SMILES for 3-[2-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]phenoxy]propanamide is Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccccc1OCCC(N)=O.
What is the InChIKey of 3-[2-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]phenoxy]propanamide?
The InChIKey is AXNHEQXGOXWKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-14-16-7-3-4-8-18(16)24-15(2)17(14)13-22(27)25-19-9-5-6-10-20(19)28-12-11-21(23)26/h3-10H,11-13H2,1-2H3,(H2,23,26)(H,25,27).
What are the key properties of 3-[2-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]phenoxy]propanamide?
3-[2-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]phenoxy]propanamide has a molecular weight of 377.44 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]phenoxy]propanamide is sourced from PubChem (CID 60530589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).