2-(4-fluorophenyl)-2-methyl-5-[(E)-2-quinolin-4-ylethenyl]furan-3-one

C22H16FNO2 — CID 10970023

IUPAC2-(4-fluorophenyl)-2-methyl-5-[(E)-2-quinolin-4-ylethenyl]furan-3-one
SMILESCC1(c2ccc(F)cc2)OC(/C=C/c2ccnc3ccccc23)=CC1=O
InChIInChI=1S/C22H16FNO2/c1-22(16-7-9-17(23)10-8-16)21(25)14-18(26-22)11-6-15-12-13-24-20-5-3-2-4-19(15)20/h2-14H,1H3/b11-6+
InChIKeyUXXUXHMKZXTBMO-IZZDOVSWSA-N
MW345.37 g/mol
LogP4.79
Rot. Bonds3

About 2-(4-fluorophenyl)-2-methyl-5-[(E)-2-quinolin-4-ylethenyl]furan-3-one

2-(4-fluorophenyl)-2-methyl-5-[(E)-2-quinolin-4-ylethenyl]furan-3-one (PubChem CID 10970023) has the molecular formula C22H16FNO2 and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-methyl-5-[(E)-2-quinolin-4-ylethenyl]furan-3-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-methyl-5-[(E)-2-quinolin-4-ylethenyl]furan-3-one
PubChem CID10970023
Molecular FormulaC22H16FNO2
Molecular Weight345.37 g/mol
Exact Mass345.12
IUPAC Name2-(4-fluorophenyl)-2-methyl-5-[(E)-2-quinolin-4-ylethenyl]furan-3-one
SMILESCC1(c2ccc(F)cc2)OC(/C=C/c2ccnc3ccccc23)=CC1=O
InChIInChI=1S/C22H16FNO2/c1-22(16-7-9-17(23)10-8-16)21(25)14-18(26-22)11-6-15-12-13-24-20-5-3-2-4-19(15)20/h2-14H,1H3/b11-6+
InChIKeyUXXUXHMKZXTBMO-IZZDOVSWSA-N
XLogP4.79
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-methyl-5-[(E)-2-quinolin-4-ylethenyl]furan-3-one?
The IUPAC name of 2-(4-fluorophenyl)-2-methyl-5-[(E)-2-quinolin-4-ylethenyl]furan-3-one (CID 10970023) is 2-(4-fluorophenyl)-2-methyl-5-[(E)-2-quinolin-4-ylethenyl]furan-3-one.
What is the SMILES notation for 2-(4-fluorophenyl)-2-methyl-5-[(E)-2-quinolin-4-ylethenyl]furan-3-one?
The canonical SMILES for 2-(4-fluorophenyl)-2-methyl-5-[(E)-2-quinolin-4-ylethenyl]furan-3-one is CC1(c2ccc(F)cc2)OC(/C=C/c2ccnc3ccccc23)=CC1=O.
What is the InChIKey of 2-(4-fluorophenyl)-2-methyl-5-[(E)-2-quinolin-4-ylethenyl]furan-3-one?
The InChIKey is UXXUXHMKZXTBMO-IZZDOVSWSA-N. The full InChI is InChI=1S/C22H16FNO2/c1-22(16-7-9-17(23)10-8-16)21(25)14-18(26-22)11-6-15-12-13-24-20-5-3-2-4-19(15)20/h2-14H,1H3/b11-6+.
What are the key properties of 2-(4-fluorophenyl)-2-methyl-5-[(E)-2-quinolin-4-ylethenyl]furan-3-one?
2-(4-fluorophenyl)-2-methyl-5-[(E)-2-quinolin-4-ylethenyl]furan-3-one has a molecular weight of 345.37 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-methyl-5-[(E)-2-quinolin-4-ylethenyl]furan-3-one is sourced from PubChem (CID 10970023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).