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

C22H15F2NO — CID 67616677

IUPAC2-[4-(2,4-difluorophenyl)phenyl]-3-methyl-1H-quinolin-4-one
SMILESCc1c(-c2ccc(-c3ccc(F)cc3F)cc2)[nH]c2ccccc2c1=O
InChIInChI=1S/C22H15F2NO/c1-13-21(25-20-5-3-2-4-18(20)22(13)26)15-8-6-14(7-9-15)17-11-10-16(23)12-19(17)24/h2-12H,1H3,(H,25,26)
InChIKeyXVUIKKHOSCAYHX-UHFFFAOYSA-N
MW347.36 g/mol
LogP5.45
Rot. Bonds2

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

2-[4-(2,4-difluorophenyl)phenyl]-3-methyl-1H-quinolin-4-one (PubChem CID 67616677) has the molecular formula C22H15F2NO and a molecular weight of 347.36 g/mol. Its IUPAC name is 2-[4-(2,4-difluorophenyl)phenyl]-3-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[4-(2,4-difluorophenyl)phenyl]-3-methyl-1H-quinolin-4-one
PubChem CID67616677
Molecular FormulaC22H15F2NO
Molecular Weight347.36 g/mol
Exact Mass347.11
IUPAC Name2-[4-(2,4-difluorophenyl)phenyl]-3-methyl-1H-quinolin-4-one
SMILESCc1c(-c2ccc(-c3ccc(F)cc3F)cc2)[nH]c2ccccc2c1=O
InChIInChI=1S/C22H15F2NO/c1-13-21(25-20-5-3-2-4-18(20)22(13)26)15-8-6-14(7-9-15)17-11-10-16(23)12-19(17)24/h2-12H,1H3,(H,25,26)
InChIKeyXVUIKKHOSCAYHX-UHFFFAOYSA-N
XLogP5.45
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.36
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-difluorophenyl)phenyl]-3-methyl-1H-quinolin-4-one?
The IUPAC name of 2-[4-(2,4-difluorophenyl)phenyl]-3-methyl-1H-quinolin-4-one (CID 67616677) is 2-[4-(2,4-difluorophenyl)phenyl]-3-methyl-1H-quinolin-4-one.
What is the SMILES notation for 2-[4-(2,4-difluorophenyl)phenyl]-3-methyl-1H-quinolin-4-one?
The canonical SMILES for 2-[4-(2,4-difluorophenyl)phenyl]-3-methyl-1H-quinolin-4-one is Cc1c(-c2ccc(-c3ccc(F)cc3F)cc2)[nH]c2ccccc2c1=O.
What is the InChIKey of 2-[4-(2,4-difluorophenyl)phenyl]-3-methyl-1H-quinolin-4-one?
The InChIKey is XVUIKKHOSCAYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2NO/c1-13-21(25-20-5-3-2-4-18(20)22(13)26)15-8-6-14(7-9-15)17-11-10-16(23)12-19(17)24/h2-12H,1H3,(H,25,26).
What are the key properties of 2-[4-(2,4-difluorophenyl)phenyl]-3-methyl-1H-quinolin-4-one?
2-[4-(2,4-difluorophenyl)phenyl]-3-methyl-1H-quinolin-4-one has a molecular weight of 347.36 g/mol, XLogP of 5.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-difluorophenyl)phenyl]-3-methyl-1H-quinolin-4-one is sourced from PubChem (CID 67616677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).