[1-(4-fluorophenyl)-1-oxopropan-2-yl] quinoline-2-carboxylate

C19H14FNO3 — CID 6493433

IUPAC[1-(4-fluorophenyl)-1-oxopropan-2-yl] quinoline-2-carboxylate
SMILESCC(OC(=O)c1ccc2ccccc2n1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C19H14FNO3/c1-12(18(22)14-6-9-15(20)10-7-14)24-19(23)17-11-8-13-4-2-3-5-16(13)21-17/h2-12H,1H3
InChIKeyUKJAJJXEDFGOGV-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.80
Rot. Bonds4

About [1-(4-fluorophenyl)-1-oxopropan-2-yl] quinoline-2-carboxylate

[1-(4-fluorophenyl)-1-oxopropan-2-yl] quinoline-2-carboxylate (PubChem CID 6493433) has the molecular formula C19H14FNO3 and a molecular weight of 323.32 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-1-oxopropan-2-yl] quinoline-2-carboxylate.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-1-oxopropan-2-yl] quinoline-2-carboxylate
PubChem CID6493433
Molecular FormulaC19H14FNO3
Molecular Weight323.32 g/mol
Exact Mass323.10
IUPAC Name[1-(4-fluorophenyl)-1-oxopropan-2-yl] quinoline-2-carboxylate
SMILESCC(OC(=O)c1ccc2ccccc2n1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C19H14FNO3/c1-12(18(22)14-6-9-15(20)10-7-14)24-19(23)17-11-8-13-4-2-3-5-16(13)21-17/h2-12H,1H3
InChIKeyUKJAJJXEDFGOGV-UHFFFAOYSA-N
XLogP3.80
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-1-oxopropan-2-yl] quinoline-2-carboxylate?
The IUPAC name of [1-(4-fluorophenyl)-1-oxopropan-2-yl] quinoline-2-carboxylate (CID 6493433) is [1-(4-fluorophenyl)-1-oxopropan-2-yl] quinoline-2-carboxylate.
What is the SMILES notation for [1-(4-fluorophenyl)-1-oxopropan-2-yl] quinoline-2-carboxylate?
The canonical SMILES for [1-(4-fluorophenyl)-1-oxopropan-2-yl] quinoline-2-carboxylate is CC(OC(=O)c1ccc2ccccc2n1)C(=O)c1ccc(F)cc1.
What is the InChIKey of [1-(4-fluorophenyl)-1-oxopropan-2-yl] quinoline-2-carboxylate?
The InChIKey is UKJAJJXEDFGOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO3/c1-12(18(22)14-6-9-15(20)10-7-14)24-19(23)17-11-8-13-4-2-3-5-16(13)21-17/h2-12H,1H3.
What are the key properties of [1-(4-fluorophenyl)-1-oxopropan-2-yl] quinoline-2-carboxylate?
[1-(4-fluorophenyl)-1-oxopropan-2-yl] quinoline-2-carboxylate has a molecular weight of 323.32 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-1-oxopropan-2-yl] quinoline-2-carboxylate is sourced from PubChem (CID 6493433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).