[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-quinolin-8-ylacetate

C22H21FN2O3 — CID 55561808

IUPAC[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-quinolin-8-ylacetate
SMILESCC(OC(=O)Cc1cccc2cccnc12)C(=O)NC(C)c1ccc(F)cc1
InChIInChI=1S/C22H21FN2O3/c1-14(16-8-10-19(23)11-9-16)25-22(27)15(2)28-20(26)13-18-6-3-5-17-7-4-12-24-21(17)18/h3-12,14-15H,13H2,1-2H3,(H,25,27)
InChIKeyLXCWAWLRCTVAIO-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.73
Rot. Bonds6

About [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-quinolin-8-ylacetate

[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-quinolin-8-ylacetate (PubChem CID 55561808) has the molecular formula C22H21FN2O3 and a molecular weight of 380.42 g/mol. Its IUPAC name is [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-quinolin-8-ylacetate.

Molecular Properties

Compound Name[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-quinolin-8-ylacetate
PubChem CID55561808
Molecular FormulaC22H21FN2O3
Molecular Weight380.42 g/mol
Exact Mass380.15
IUPAC Name[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-quinolin-8-ylacetate
SMILESCC(OC(=O)Cc1cccc2cccnc12)C(=O)NC(C)c1ccc(F)cc1
InChIInChI=1S/C22H21FN2O3/c1-14(16-8-10-19(23)11-9-16)25-22(27)15(2)28-20(26)13-18-6-3-5-17-7-4-12-24-21(17)18/h3-12,14-15H,13H2,1-2H3,(H,25,27)
InChIKeyLXCWAWLRCTVAIO-UHFFFAOYSA-N
XLogP3.73
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-quinolin-8-ylacetate
CID 42937435
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-quinolin-8-ylacetate
CID 46688074
[(2R)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl] 2-phenylsulfanylpyridine-3-carboxylate
CID 26439901
[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 42978956
[(2S)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl] quinoline-2-carboxylate
CID 7812959
8-[2-(4-fluorophenyl)-3-methylbutyl]quinoline
CID 143372956
[(2S)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl] 2,2-diphenylacetate
CID 8578892
(2R)-2-(2-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 92682028
ethyl 2-quinolin-8-ylacetate
CID 52562898
(2R)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenoxy)propanamide
CID 28958208
N-[1-(4-fluorophenyl)ethyl]-2-naphthalen-2-yloxypropanamide
CID 46763869
[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] (E)-3-quinolin-8-ylprop-2-enoate
CID 55509264

Frequently Asked Questions

What is the IUPAC name of [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-quinolin-8-ylacetate?
The IUPAC name of [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-quinolin-8-ylacetate (CID 55561808) is [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-quinolin-8-ylacetate.
What is the SMILES notation for [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-quinolin-8-ylacetate?
The canonical SMILES for [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-quinolin-8-ylacetate is CC(OC(=O)Cc1cccc2cccnc12)C(=O)NC(C)c1ccc(F)cc1.
What is the InChIKey of [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-quinolin-8-ylacetate?
The InChIKey is LXCWAWLRCTVAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3/c1-14(16-8-10-19(23)11-9-16)25-22(27)15(2)28-20(26)13-18-6-3-5-17-7-4-12-24-21(17)18/h3-12,14-15H,13H2,1-2H3,(H,25,27).
What are the key properties of [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-quinolin-8-ylacetate?
[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-quinolin-8-ylacetate has a molecular weight of 380.42 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-quinolin-8-ylacetate is sourced from PubChem (CID 55561808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).