[1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-quinolin-8-ylacetate

C20H17FN2O3 — CID 42937435

IUPAC[1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-quinolin-8-ylacetate
SMILESCC(OC(=O)Cc1cccc2cccnc12)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C20H17FN2O3/c1-13(20(25)23-17-9-3-8-16(21)12-17)26-18(24)11-15-6-2-5-14-7-4-10-22-19(14)15/h2-10,12-13H,11H2,1H3,(H,23,25)
InChIKeyQSHSVQSDWBJBJW-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.49
Rot. Bonds5

About [1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-quinolin-8-ylacetate

[1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-quinolin-8-ylacetate (PubChem CID 42937435) has the molecular formula C20H17FN2O3 and a molecular weight of 352.37 g/mol. Its IUPAC name is [1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-quinolin-8-ylacetate.

Molecular Properties

Compound Name[1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-quinolin-8-ylacetate
PubChem CID42937435
Molecular FormulaC20H17FN2O3
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC Name[1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-quinolin-8-ylacetate
SMILESCC(OC(=O)Cc1cccc2cccnc12)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C20H17FN2O3/c1-13(20(25)23-17-9-3-8-16(21)12-17)26-18(24)11-15-6-2-5-14-7-4-10-22-19(14)15/h2-10,12-13H,11H2,1H3,(H,23,25)
InChIKeyQSHSVQSDWBJBJW-UHFFFAOYSA-N
XLogP3.49
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-quinolin-8-ylacetate
CID 55561808
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-quinolin-8-ylacetate
CID 46688074
[(2S)-1-anilino-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
CID 8590345
N-(3-fluorophenyl)-2-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]propanamide
CID 55841391
[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 9307385
[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 9307378
[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
CID 9384497
[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
CID 8577668
[1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate
CID 46619358
[(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 2-(3-fluorophenyl)acetate
CID 8560156
[1-(3-acetylanilino)-1-oxopropan-2-yl] 2-naphthalen-1-ylacetate
CID 46790161
[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-(4-fluorophenyl)acetate
CID 8613311

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-quinolin-8-ylacetate?
The IUPAC name of [1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-quinolin-8-ylacetate (CID 42937435) is [1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-quinolin-8-ylacetate.
What is the SMILES notation for [1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-quinolin-8-ylacetate?
The canonical SMILES for [1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-quinolin-8-ylacetate is CC(OC(=O)Cc1cccc2cccnc12)C(=O)Nc1cccc(F)c1.
What is the InChIKey of [1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-quinolin-8-ylacetate?
The InChIKey is QSHSVQSDWBJBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3/c1-13(20(25)23-17-9-3-8-16(21)12-17)26-18(24)11-15-6-2-5-14-7-4-10-22-19(14)15/h2-10,12-13H,11H2,1H3,(H,23,25).
What are the key properties of [1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-quinolin-8-ylacetate?
[1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-quinolin-8-ylacetate has a molecular weight of 352.37 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-quinolin-8-ylacetate is sourced from PubChem (CID 42937435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).