1-(4-fluorophenyl)-3-phenyl-4-quinolin-2-ylbutan-1-one

C25H20FNO — CID 52937193

IUPAC1-(4-fluorophenyl)-3-phenyl-4-quinolin-2-ylbutan-1-one
SMILESO=C(CC(Cc1ccc2ccccc2n1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C25H20FNO/c26-22-13-10-20(11-14-22)25(28)17-21(18-6-2-1-3-7-18)16-23-15-12-19-8-4-5-9-24(19)27-23/h1-15,21H,16-17H2
InChIKeyAJZWIFQKRCYTCD-UHFFFAOYSA-N
MW369.44 g/mol
LogP5.97
Rot. Bonds6

About 1-(4-fluorophenyl)-3-phenyl-4-quinolin-2-ylbutan-1-one

1-(4-fluorophenyl)-3-phenyl-4-quinolin-2-ylbutan-1-one (PubChem CID 52937193) has the molecular formula C25H20FNO and a molecular weight of 369.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-phenyl-4-quinolin-2-ylbutan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-phenyl-4-quinolin-2-ylbutan-1-one
PubChem CID52937193
Molecular FormulaC25H20FNO
Molecular Weight369.44 g/mol
Exact Mass369.15
IUPAC Name1-(4-fluorophenyl)-3-phenyl-4-quinolin-2-ylbutan-1-one
SMILESO=C(CC(Cc1ccc2ccccc2n1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C25H20FNO/c26-22-13-10-20(11-14-22)25(28)17-21(18-6-2-1-3-7-18)16-23-15-12-19-8-4-5-9-24(19)27-23/h1-15,21H,16-17H2
InChIKeyAJZWIFQKRCYTCD-UHFFFAOYSA-N
XLogP5.97
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.44
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-phenyl-4-quinolin-2-ylbutan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-3-phenyl-4-quinolin-2-ylbutan-1-one (CID 52937193) is 1-(4-fluorophenyl)-3-phenyl-4-quinolin-2-ylbutan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-phenyl-4-quinolin-2-ylbutan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-phenyl-4-quinolin-2-ylbutan-1-one is O=C(CC(Cc1ccc2ccccc2n1)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-phenyl-4-quinolin-2-ylbutan-1-one?
The InChIKey is AJZWIFQKRCYTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FNO/c26-22-13-10-20(11-14-22)25(28)17-21(18-6-2-1-3-7-18)16-23-15-12-19-8-4-5-9-24(19)27-23/h1-15,21H,16-17H2.
What are the key properties of 1-(4-fluorophenyl)-3-phenyl-4-quinolin-2-ylbutan-1-one?
1-(4-fluorophenyl)-3-phenyl-4-quinolin-2-ylbutan-1-one has a molecular weight of 369.44 g/mol, XLogP of 5.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-phenyl-4-quinolin-2-ylbutan-1-one is sourced from PubChem (CID 52937193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).