[2-(4-fluorophenyl)-2-oxoethyl] 6-methyl-2-oxo-1H-quinoline-4-carboxylate

C19H14FNO4 — CID 902796

IUPAC[2-(4-fluorophenyl)-2-oxoethyl] 6-methyl-2-oxo-1H-quinoline-4-carboxylate
SMILESCc1ccc2[nH]c(=O)cc(C(=O)OCC(=O)c3ccc(F)cc3)c2c1
InChIInChI=1S/C19H14FNO4/c1-11-2-7-16-14(8-11)15(9-18(23)21-16)19(24)25-10-17(22)12-3-5-13(20)6-4-12/h2-9H,10H2,1H3,(H,21,23)
InChIKeyZSWQSSSOIOFOHF-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.02
Rot. Bonds4

About [2-(4-fluorophenyl)-2-oxoethyl] 6-methyl-2-oxo-1H-quinoline-4-carboxylate

[2-(4-fluorophenyl)-2-oxoethyl] 6-methyl-2-oxo-1H-quinoline-4-carboxylate (PubChem CID 902796) has the molecular formula C19H14FNO4 and a molecular weight of 339.32 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-2-oxoethyl] 6-methyl-2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-2-oxoethyl] 6-methyl-2-oxo-1H-quinoline-4-carboxylate
PubChem CID902796
Molecular FormulaC19H14FNO4
Molecular Weight339.32 g/mol
Exact Mass339.09
IUPAC Name[2-(4-fluorophenyl)-2-oxoethyl] 6-methyl-2-oxo-1H-quinoline-4-carboxylate
SMILESCc1ccc2[nH]c(=O)cc(C(=O)OCC(=O)c3ccc(F)cc3)c2c1
InChIInChI=1S/C19H14FNO4/c1-11-2-7-16-14(8-11)15(9-18(23)21-16)19(24)25-10-17(22)12-3-5-13(20)6-4-12/h2-9H,10H2,1H3,(H,21,23)
InChIKeyZSWQSSSOIOFOHF-UHFFFAOYSA-N
XLogP3.02
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 6-methyl-2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 6-methyl-2-oxo-1H-quinoline-4-carboxylate (CID 902796) is [2-(4-fluorophenyl)-2-oxoethyl] 6-methyl-2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for [2-(4-fluorophenyl)-2-oxoethyl] 6-methyl-2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for [2-(4-fluorophenyl)-2-oxoethyl] 6-methyl-2-oxo-1H-quinoline-4-carboxylate is Cc1ccc2[nH]c(=O)cc(C(=O)OCC(=O)c3ccc(F)cc3)c2c1.
What is the InChIKey of [2-(4-fluorophenyl)-2-oxoethyl] 6-methyl-2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is ZSWQSSSOIOFOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO4/c1-11-2-7-16-14(8-11)15(9-18(23)21-16)19(24)25-10-17(22)12-3-5-13(20)6-4-12/h2-9H,10H2,1H3,(H,21,23).
What are the key properties of [2-(4-fluorophenyl)-2-oxoethyl] 6-methyl-2-oxo-1H-quinoline-4-carboxylate?
[2-(4-fluorophenyl)-2-oxoethyl] 6-methyl-2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 339.32 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-2-oxoethyl] 6-methyl-2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 902796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).