1-benzyl-6-fluoro-3-(4-fluorobenzoyl)quinolin-4-one

C23H15F2NO2 — CID 20864528

IUPAC1-benzyl-6-fluoro-3-(4-fluorobenzoyl)quinolin-4-one
SMILESO=C(c1ccc(F)cc1)c1cn(Cc2ccccc2)c2ccc(F)cc2c1=O
InChIInChI=1S/C23H15F2NO2/c24-17-8-6-16(7-9-17)22(27)20-14-26(13-15-4-2-1-3-5-15)21-11-10-18(25)12-19(21)23(20)28/h1-12,14H,13H2
InChIKeyLVXULHITFGHXHC-UHFFFAOYSA-N
MW375.37 g/mol
LogP4.56
Rot. Bonds4

About 1-benzyl-6-fluoro-3-(4-fluorobenzoyl)quinolin-4-one

1-benzyl-6-fluoro-3-(4-fluorobenzoyl)quinolin-4-one (PubChem CID 20864528) has the molecular formula C23H15F2NO2 and a molecular weight of 375.37 g/mol. Its IUPAC name is 1-benzyl-6-fluoro-3-(4-fluorobenzoyl)quinolin-4-one.

Molecular Properties

Compound Name1-benzyl-6-fluoro-3-(4-fluorobenzoyl)quinolin-4-one
PubChem CID20864528
Molecular FormulaC23H15F2NO2
Molecular Weight375.37 g/mol
Exact Mass375.11
IUPAC Name1-benzyl-6-fluoro-3-(4-fluorobenzoyl)quinolin-4-one
SMILESO=C(c1ccc(F)cc1)c1cn(Cc2ccccc2)c2ccc(F)cc2c1=O
InChIInChI=1S/C23H15F2NO2/c24-17-8-6-16(7-9-17)22(27)20-14-26(13-15-4-2-1-3-5-15)21-11-10-18(25)12-19(21)23(20)28/h1-12,14H,13H2
InChIKeyLVXULHITFGHXHC-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 1-benzyl-6-fluoro-3-(4-fluorobenzoyl)quinolin-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 1-benzyl-6-fluoro-3-(4-fluorobenzoyl)quinolin-4-one?
The IUPAC name of 1-benzyl-6-fluoro-3-(4-fluorobenzoyl)quinolin-4-one (CID 20864528) is 1-benzyl-6-fluoro-3-(4-fluorobenzoyl)quinolin-4-one.
What is the SMILES notation for 1-benzyl-6-fluoro-3-(4-fluorobenzoyl)quinolin-4-one?
The canonical SMILES for 1-benzyl-6-fluoro-3-(4-fluorobenzoyl)quinolin-4-one is O=C(c1ccc(F)cc1)c1cn(Cc2ccccc2)c2ccc(F)cc2c1=O.
What is the InChIKey of 1-benzyl-6-fluoro-3-(4-fluorobenzoyl)quinolin-4-one?
The InChIKey is LVXULHITFGHXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2NO2/c24-17-8-6-16(7-9-17)22(27)20-14-26(13-15-4-2-1-3-5-15)21-11-10-18(25)12-19(21)23(20)28/h1-12,14H,13H2.
What are the key properties of 1-benzyl-6-fluoro-3-(4-fluorobenzoyl)quinolin-4-one?
1-benzyl-6-fluoro-3-(4-fluorobenzoyl)quinolin-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 1-benzyl-6-fluoro-3-(4-fluorobenzoyl)quinolin-4-one is sourced from PubChem (CID 20864528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).