3-benzoyl-1-benzyl-6,8-difluoroquinolin-4-one

C23H15F2NO2 — CID 20864507

IUPAC3-benzoyl-1-benzyl-6,8-difluoroquinolin-4-one
SMILESO=C(c1ccccc1)c1cn(Cc2ccccc2)c2c(F)cc(F)cc2c1=O
InChIInChI=1S/C23H15F2NO2/c24-17-11-18-21(20(25)12-17)26(13-15-7-3-1-4-8-15)14-19(23(18)28)22(27)16-9-5-2-6-10-16/h1-12,14H,13H2
InChIKeyUIHLDMUVPGALHZ-UHFFFAOYSA-N
MW375.37 g/mol
LogP4.56
Rot. Bonds4

About 3-benzoyl-1-benzyl-6,8-difluoroquinolin-4-one

3-benzoyl-1-benzyl-6,8-difluoroquinolin-4-one (PubChem CID 20864507) has the molecular formula C23H15F2NO2 and a molecular weight of 375.37 g/mol. Its IUPAC name is 3-benzoyl-1-benzyl-6,8-difluoroquinolin-4-one.

Molecular Properties

Compound Name3-benzoyl-1-benzyl-6,8-difluoroquinolin-4-one
PubChem CID20864507
Molecular FormulaC23H15F2NO2
Molecular Weight375.37 g/mol
Exact Mass375.11
IUPAC Name3-benzoyl-1-benzyl-6,8-difluoroquinolin-4-one
SMILESO=C(c1ccccc1)c1cn(Cc2ccccc2)c2c(F)cc(F)cc2c1=O
InChIInChI=1S/C23H15F2NO2/c24-17-11-18-21(20(25)12-17)26(13-15-7-3-1-4-8-15)14-19(23(18)28)22(27)16-9-5-2-6-10-16/h1-12,14H,13H2
InChIKeyUIHLDMUVPGALHZ-UHFFFAOYSA-N
XLogP4.56
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-benzoyl-1-benzyl-6,8-difluoroquinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-1-benzyl-6,8-difluoroquinolin-4-one?
The IUPAC name of 3-benzoyl-1-benzyl-6,8-difluoroquinolin-4-one (CID 20864507) is 3-benzoyl-1-benzyl-6,8-difluoroquinolin-4-one.
What is the SMILES notation for 3-benzoyl-1-benzyl-6,8-difluoroquinolin-4-one?
The canonical SMILES for 3-benzoyl-1-benzyl-6,8-difluoroquinolin-4-one is O=C(c1ccccc1)c1cn(Cc2ccccc2)c2c(F)cc(F)cc2c1=O.
What is the InChIKey of 3-benzoyl-1-benzyl-6,8-difluoroquinolin-4-one?
The InChIKey is UIHLDMUVPGALHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2NO2/c24-17-11-18-21(20(25)12-17)26(13-15-7-3-1-4-8-15)14-19(23(18)28)22(27)16-9-5-2-6-10-16/h1-12,14H,13H2.
What are the key properties of 3-benzoyl-1-benzyl-6,8-difluoroquinolin-4-one?
3-benzoyl-1-benzyl-6,8-difluoroquinolin-4-one has a molecular weight of 375.37 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-1-benzyl-6,8-difluoroquinolin-4-one is sourced from PubChem (CID 20864507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).