3-[2-(4-fluorophenyl)ethylamino]-N-quinolin-8-ylpropanamide

C20H20FN3O — CID 109025202

IUPAC3-[2-(4-fluorophenyl)ethylamino]-N-quinolin-8-ylpropanamide
SMILESO=C(CCNCCc1ccc(F)cc1)Nc1cccc2cccnc12
InChIInChI=1S/C20H20FN3O/c21-17-8-6-15(7-9-17)10-13-22-14-11-19(25)24-18-5-1-3-16-4-2-12-23-20(16)18/h1-9,12,22H,10-11,13-14H2,(H,24,25)
InChIKeyUXCBYRVXLHMZAS-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.53
Rot. Bonds7

About 3-[2-(4-fluorophenyl)ethylamino]-N-quinolin-8-ylpropanamide

3-[2-(4-fluorophenyl)ethylamino]-N-quinolin-8-ylpropanamide (PubChem CID 109025202) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)ethylamino]-N-quinolin-8-ylpropanamide.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)ethylamino]-N-quinolin-8-ylpropanamide
PubChem CID109025202
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name3-[2-(4-fluorophenyl)ethylamino]-N-quinolin-8-ylpropanamide
SMILESO=C(CCNCCc1ccc(F)cc1)Nc1cccc2cccnc12
InChIInChI=1S/C20H20FN3O/c21-17-8-6-15(7-9-17)10-13-22-14-11-19(25)24-18-5-1-3-16-4-2-12-23-20(16)18/h1-9,12,22H,10-11,13-14H2,(H,24,25)
InChIKeyUXCBYRVXLHMZAS-UHFFFAOYSA-N
XLogP3.53
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2-fluorophenyl)ethylamino]-N-quinolin-8-ylpropanamide
CID 109024907
3-[(2-fluorophenyl)methylamino]-N-quinolin-8-ylpropanamide
CID 109020977
1-N-[2-(4-fluorophenyl)ethyl]-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108977537
N-(2,3-dimethylphenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109025134
N-(2-chlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109025148
2-(4-fluorophenoxy)-N-quinolin-8-ylacetamide
CID 17443973
6-[2-(4-fluorophenyl)ethylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109351074
2-(3-fluorophenyl)-N-quinolin-8-ylacetamide
CID 17466971
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606
N-(2,4-difluorophenyl)-N'-quinolin-8-ylpropanediamide
CID 108956736
3-(1,3-benzodioxol-5-ylmethylamino)-N-quinolin-8-ylpropanamide
CID 109022845
N-(2,6-dichlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109025214

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)ethylamino]-N-quinolin-8-ylpropanamide?
The IUPAC name of 3-[2-(4-fluorophenyl)ethylamino]-N-quinolin-8-ylpropanamide (CID 109025202) is 3-[2-(4-fluorophenyl)ethylamino]-N-quinolin-8-ylpropanamide.
What is the SMILES notation for 3-[2-(4-fluorophenyl)ethylamino]-N-quinolin-8-ylpropanamide?
The canonical SMILES for 3-[2-(4-fluorophenyl)ethylamino]-N-quinolin-8-ylpropanamide is O=C(CCNCCc1ccc(F)cc1)Nc1cccc2cccnc12.
What is the InChIKey of 3-[2-(4-fluorophenyl)ethylamino]-N-quinolin-8-ylpropanamide?
The InChIKey is UXCBYRVXLHMZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c21-17-8-6-15(7-9-17)10-13-22-14-11-19(25)24-18-5-1-3-16-4-2-12-23-20(16)18/h1-9,12,22H,10-11,13-14H2,(H,24,25).
What are the key properties of 3-[2-(4-fluorophenyl)ethylamino]-N-quinolin-8-ylpropanamide?
3-[2-(4-fluorophenyl)ethylamino]-N-quinolin-8-ylpropanamide has a molecular weight of 337.40 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)ethylamino]-N-quinolin-8-ylpropanamide is sourced from PubChem (CID 109025202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).