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

C23H18FNO — CID 56965335

IUPAC2-[4-[(4-fluorophenyl)methyl]phenyl]-3-methyl-1H-quinolin-4-one
SMILESCc1c(-c2ccc(Cc3ccc(F)cc3)cc2)[nH]c2ccccc2c1=O
InChIInChI=1S/C23H18FNO/c1-15-22(25-21-5-3-2-4-20(21)23(15)26)18-10-6-16(7-11-18)14-17-8-12-19(24)13-9-17/h2-13H,14H2,1H3,(H,25,26)
InChIKeyVMBCUYPHCLRGAH-UHFFFAOYSA-N
MW343.40 g/mol
LogP5.23
Rot. Bonds3

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

2-[4-[(4-fluorophenyl)methyl]phenyl]-3-methyl-1H-quinolin-4-one (PubChem CID 56965335) has the molecular formula C23H18FNO and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)methyl]phenyl]-3-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)methyl]phenyl]-3-methyl-1H-quinolin-4-one
PubChem CID56965335
Molecular FormulaC23H18FNO
Molecular Weight343.40 g/mol
Exact Mass343.14
IUPAC Name2-[4-[(4-fluorophenyl)methyl]phenyl]-3-methyl-1H-quinolin-4-one
SMILESCc1c(-c2ccc(Cc3ccc(F)cc3)cc2)[nH]c2ccccc2c1=O
InChIInChI=1S/C23H18FNO/c1-15-22(25-21-5-3-2-4-20(21)23(15)26)18-10-6-16(7-11-18)14-17-8-12-19(24)13-9-17/h2-13H,14H2,1H3,(H,25,26)
InChIKeyVMBCUYPHCLRGAH-UHFFFAOYSA-N
XLogP5.23
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.40
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)methyl]phenyl]-3-methyl-1H-quinolin-4-one?
The IUPAC name of 2-[4-[(4-fluorophenyl)methyl]phenyl]-3-methyl-1H-quinolin-4-one (CID 56965335) is 2-[4-[(4-fluorophenyl)methyl]phenyl]-3-methyl-1H-quinolin-4-one.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)methyl]phenyl]-3-methyl-1H-quinolin-4-one?
The canonical SMILES for 2-[4-[(4-fluorophenyl)methyl]phenyl]-3-methyl-1H-quinolin-4-one is Cc1c(-c2ccc(Cc3ccc(F)cc3)cc2)[nH]c2ccccc2c1=O.
What is the InChIKey of 2-[4-[(4-fluorophenyl)methyl]phenyl]-3-methyl-1H-quinolin-4-one?
The InChIKey is VMBCUYPHCLRGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO/c1-15-22(25-21-5-3-2-4-20(21)23(15)26)18-10-6-16(7-11-18)14-17-8-12-19(24)13-9-17/h2-13H,14H2,1H3,(H,25,26).
What are the key properties of 2-[4-[(4-fluorophenyl)methyl]phenyl]-3-methyl-1H-quinolin-4-one?
2-[4-[(4-fluorophenyl)methyl]phenyl]-3-methyl-1H-quinolin-4-one has a molecular weight of 343.40 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)methyl]phenyl]-3-methyl-1H-quinolin-4-one is sourced from PubChem (CID 56965335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).