2-[4-(2-fluorophenyl)phenyl]-3-methyl-1H-quinolin-4-one

C22H16FNO — CID 67616412

IUPAC2-[4-(2-fluorophenyl)phenyl]-3-methyl-1H-quinolin-4-one
SMILESCc1c(-c2ccc(-c3ccccc3F)cc2)[nH]c2ccccc2c1=O
InChIInChI=1S/C22H16FNO/c1-14-21(24-20-9-5-3-7-18(20)22(14)25)16-12-10-15(11-13-16)17-6-2-4-8-19(17)23/h2-13H,1H3,(H,24,25)
InChIKeyYZNFGGTWPIWSFT-UHFFFAOYSA-N
MW329.37 g/mol
LogP5.31
Rot. Bonds2

About 2-[4-(2-fluorophenyl)phenyl]-3-methyl-1H-quinolin-4-one

2-[4-(2-fluorophenyl)phenyl]-3-methyl-1H-quinolin-4-one (PubChem CID 67616412) has the molecular formula C22H16FNO and a molecular weight of 329.37 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)phenyl]-3-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)phenyl]-3-methyl-1H-quinolin-4-one
PubChem CID67616412
Molecular FormulaC22H16FNO
Molecular Weight329.37 g/mol
Exact Mass329.12
IUPAC Name2-[4-(2-fluorophenyl)phenyl]-3-methyl-1H-quinolin-4-one
SMILESCc1c(-c2ccc(-c3ccccc3F)cc2)[nH]c2ccccc2c1=O
InChIInChI=1S/C22H16FNO/c1-14-21(24-20-9-5-3-7-18(20)22(14)25)16-12-10-15(11-13-16)17-6-2-4-8-19(17)23/h2-13H,1H3,(H,24,25)
InChIKeyYZNFGGTWPIWSFT-UHFFFAOYSA-N
XLogP5.31
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.37
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[4-(2-fluorophenyl)phenyl]-3-methyl-1H-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 2-[4-(2-fluorophenyl)phenyl]-3-methyl-1H-quinolin-4-one?
The IUPAC name of 2-[4-(2-fluorophenyl)phenyl]-3-methyl-1H-quinolin-4-one (CID 67616412) is 2-[4-(2-fluorophenyl)phenyl]-3-methyl-1H-quinolin-4-one.
What is the SMILES notation for 2-[4-(2-fluorophenyl)phenyl]-3-methyl-1H-quinolin-4-one?
The canonical SMILES for 2-[4-(2-fluorophenyl)phenyl]-3-methyl-1H-quinolin-4-one is Cc1c(-c2ccc(-c3ccccc3F)cc2)[nH]c2ccccc2c1=O.
What is the InChIKey of 2-[4-(2-fluorophenyl)phenyl]-3-methyl-1H-quinolin-4-one?
The InChIKey is YZNFGGTWPIWSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FNO/c1-14-21(24-20-9-5-3-7-18(20)22(14)25)16-12-10-15(11-13-16)17-6-2-4-8-19(17)23/h2-13H,1H3,(H,24,25).
What are the key properties of 2-[4-(2-fluorophenyl)phenyl]-3-methyl-1H-quinolin-4-one?
2-[4-(2-fluorophenyl)phenyl]-3-methyl-1H-quinolin-4-one has a molecular weight of 329.37 g/mol, XLogP of 5.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)phenyl]-3-methyl-1H-quinolin-4-one is sourced from PubChem (CID 67616412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).