2-[1-(2,4-difluorophenyl)ethylamino]-N-quinolin-5-ylpropanamide

C20H19F2N3O — CID 47027515

IUPAC2-[1-(2,4-difluorophenyl)ethylamino]-N-quinolin-5-ylpropanamide
SMILESCC(NC(C)c1ccc(F)cc1F)C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C20H19F2N3O/c1-12(15-9-8-14(21)11-17(15)22)24-13(2)20(26)25-19-7-3-6-18-16(19)5-4-10-23-18/h3-13,24H,1-2H3,(H,25,26)
InChIKeyVYZIFOCSZBHJBG-UHFFFAOYSA-N
MW355.39 g/mol
LogP4.19
Rot. Bonds5

About 2-[1-(2,4-difluorophenyl)ethylamino]-N-quinolin-5-ylpropanamide

2-[1-(2,4-difluorophenyl)ethylamino]-N-quinolin-5-ylpropanamide (PubChem CID 47027515) has the molecular formula C20H19F2N3O and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-[1-(2,4-difluorophenyl)ethylamino]-N-quinolin-5-ylpropanamide.

Molecular Properties

Compound Name2-[1-(2,4-difluorophenyl)ethylamino]-N-quinolin-5-ylpropanamide
PubChem CID47027515
Molecular FormulaC20H19F2N3O
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name2-[1-(2,4-difluorophenyl)ethylamino]-N-quinolin-5-ylpropanamide
SMILESCC(NC(C)c1ccc(F)cc1F)C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C20H19F2N3O/c1-12(15-9-8-14(21)11-17(15)22)24-13(2)20(26)25-19-7-3-6-18-16(19)5-4-10-23-18/h3-13,24H,1-2H3,(H,25,26)
InChIKeyVYZIFOCSZBHJBG-UHFFFAOYSA-N
XLogP4.19
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-(2,4-difluorophenyl)ethylamino]-N-quinolin-5-ylpropanamide 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-[1-(2-methylphenyl)ethylamino]-N-quinolin-5-ylpropanamide
CID 47027514
N-(2,4-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]propanamide
CID 18094383
4-fluoro-2-methyl-N-quinolin-5-ylbenzamide
CID 115745134
2-bromo-N-quinolin-5-ylpropanamide
CID 107902854
2-methylsulfanyl-N-quinolin-5-ylpropanamide
CID 47188211
2,3-dimethyl-4-oxo-4-(quinolin-5-ylamino)butanoic acid
CID 103496081
N-cyclopropyl-2-[1-(2,4-difluorophenyl)ethylamino]propanamide
CID 78754103
2-[1-(2,4-difluorophenyl)ethylamino]-N-propylpropanamide
CID 43226798
2-(3-fluorophenyl)-N-quinolin-5-ylacetamide
CID 17391782
N-[(2S)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 71691849
2-phenoxy-N-quinolin-5-ylpropanamide
CID 18076800
1-[(2R)-butan-2-yl]-3-quinolin-5-ylurea
CID 51928178

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-difluorophenyl)ethylamino]-N-quinolin-5-ylpropanamide?
The IUPAC name of 2-[1-(2,4-difluorophenyl)ethylamino]-N-quinolin-5-ylpropanamide (CID 47027515) is 2-[1-(2,4-difluorophenyl)ethylamino]-N-quinolin-5-ylpropanamide.
What is the SMILES notation for 2-[1-(2,4-difluorophenyl)ethylamino]-N-quinolin-5-ylpropanamide?
The canonical SMILES for 2-[1-(2,4-difluorophenyl)ethylamino]-N-quinolin-5-ylpropanamide is CC(NC(C)c1ccc(F)cc1F)C(=O)Nc1cccc2ncccc12.
What is the InChIKey of 2-[1-(2,4-difluorophenyl)ethylamino]-N-quinolin-5-ylpropanamide?
The InChIKey is VYZIFOCSZBHJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O/c1-12(15-9-8-14(21)11-17(15)22)24-13(2)20(26)25-19-7-3-6-18-16(19)5-4-10-23-18/h3-13,24H,1-2H3,(H,25,26).
What are the key properties of 2-[1-(2,4-difluorophenyl)ethylamino]-N-quinolin-5-ylpropanamide?
2-[1-(2,4-difluorophenyl)ethylamino]-N-quinolin-5-ylpropanamide has a molecular weight of 355.39 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-difluorophenyl)ethylamino]-N-quinolin-5-ylpropanamide is sourced from PubChem (CID 47027515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).