3-benzoyl-6,8-difluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one

C23H14F3NO2 — CID 20864568

IUPAC3-benzoyl-6,8-difluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one
SMILESO=C(c1ccccc1)c1cn(Cc2cccc(F)c2)c2c(F)cc(F)cc2c1=O
InChIInChI=1S/C23H14F3NO2/c24-16-8-4-5-14(9-16)12-27-13-19(22(28)15-6-2-1-3-7-15)23(29)18-10-17(25)11-20(26)21(18)27/h1-11,13H,12H2
InChIKeySMYCYSYYZPFNCI-UHFFFAOYSA-N
MW393.36 g/mol
LogP4.70
Rot. Bonds4

About 3-benzoyl-6,8-difluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one

3-benzoyl-6,8-difluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one (PubChem CID 20864568) has the molecular formula C23H14F3NO2 and a molecular weight of 393.36 g/mol. Its IUPAC name is 3-benzoyl-6,8-difluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one.

Molecular Properties

Compound Name3-benzoyl-6,8-difluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one
PubChem CID20864568
Molecular FormulaC23H14F3NO2
Molecular Weight393.36 g/mol
Exact Mass393.10
IUPAC Name3-benzoyl-6,8-difluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one
SMILESO=C(c1ccccc1)c1cn(Cc2cccc(F)c2)c2c(F)cc(F)cc2c1=O
InChIInChI=1S/C23H14F3NO2/c24-16-8-4-5-14(9-16)12-27-13-19(22(28)15-6-2-1-3-7-15)23(29)18-10-17(25)11-20(26)21(18)27/h1-11,13H,12H2
InChIKeySMYCYSYYZPFNCI-UHFFFAOYSA-N
XLogP4.70
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.36
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-6,8-difluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one?
The IUPAC name of 3-benzoyl-6,8-difluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one (CID 20864568) is 3-benzoyl-6,8-difluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one.
What is the SMILES notation for 3-benzoyl-6,8-difluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one?
The canonical SMILES for 3-benzoyl-6,8-difluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one is O=C(c1ccccc1)c1cn(Cc2cccc(F)c2)c2c(F)cc(F)cc2c1=O.
What is the InChIKey of 3-benzoyl-6,8-difluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one?
The InChIKey is SMYCYSYYZPFNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F3NO2/c24-16-8-4-5-14(9-16)12-27-13-19(22(28)15-6-2-1-3-7-15)23(29)18-10-17(25)11-20(26)21(18)27/h1-11,13H,12H2.
What are the key properties of 3-benzoyl-6,8-difluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one?
3-benzoyl-6,8-difluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one has a molecular weight of 393.36 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-6,8-difluoro-1-[(3-fluorophenyl)methyl]quinolin-4-one is sourced from PubChem (CID 20864568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).