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

C23H16F3NO — CID 67617138

IUPAC3-methyl-2-[4-[2-(trifluoromethyl)phenyl]phenyl]-1H-quinolin-4-one
SMILESCc1c(-c2ccc(-c3ccccc3C(F)(F)F)cc2)[nH]c2ccccc2c1=O
InChIInChI=1S/C23H16F3NO/c1-14-21(27-20-9-5-3-7-18(20)22(14)28)16-12-10-15(11-13-16)17-6-2-4-8-19(17)23(24,25)26/h2-13H,1H3,(H,27,28)
InChIKeyVCQZRKIJJCDMLC-UHFFFAOYSA-N
MW379.38 g/mol
LogP6.19
Rot. Bonds2

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

3-methyl-2-[4-[2-(trifluoromethyl)phenyl]phenyl]-1H-quinolin-4-one (PubChem CID 67617138) has the molecular formula C23H16F3NO and a molecular weight of 379.38 g/mol. Its IUPAC name is 3-methyl-2-[4-[2-(trifluoromethyl)phenyl]phenyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name3-methyl-2-[4-[2-(trifluoromethyl)phenyl]phenyl]-1H-quinolin-4-one
PubChem CID67617138
Molecular FormulaC23H16F3NO
Molecular Weight379.38 g/mol
Exact Mass379.12
IUPAC Name3-methyl-2-[4-[2-(trifluoromethyl)phenyl]phenyl]-1H-quinolin-4-one
SMILESCc1c(-c2ccc(-c3ccccc3C(F)(F)F)cc2)[nH]c2ccccc2c1=O
InChIInChI=1S/C23H16F3NO/c1-14-21(27-20-9-5-3-7-18(20)22(14)28)16-12-10-15(11-13-16)17-6-2-4-8-19(17)23(24,25)26/h2-13H,1H3,(H,27,28)
InChIKeyVCQZRKIJJCDMLC-UHFFFAOYSA-N
XLogP6.19
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.38
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[4-[2-(trifluoromethyl)phenyl]phenyl]-1H-quinolin-4-one?
The IUPAC name of 3-methyl-2-[4-[2-(trifluoromethyl)phenyl]phenyl]-1H-quinolin-4-one (CID 67617138) is 3-methyl-2-[4-[2-(trifluoromethyl)phenyl]phenyl]-1H-quinolin-4-one.
What is the SMILES notation for 3-methyl-2-[4-[2-(trifluoromethyl)phenyl]phenyl]-1H-quinolin-4-one?
The canonical SMILES for 3-methyl-2-[4-[2-(trifluoromethyl)phenyl]phenyl]-1H-quinolin-4-one is Cc1c(-c2ccc(-c3ccccc3C(F)(F)F)cc2)[nH]c2ccccc2c1=O.
What is the InChIKey of 3-methyl-2-[4-[2-(trifluoromethyl)phenyl]phenyl]-1H-quinolin-4-one?
The InChIKey is VCQZRKIJJCDMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3NO/c1-14-21(27-20-9-5-3-7-18(20)22(14)28)16-12-10-15(11-13-16)17-6-2-4-8-19(17)23(24,25)26/h2-13H,1H3,(H,27,28).
What are the key properties of 3-methyl-2-[4-[2-(trifluoromethyl)phenyl]phenyl]-1H-quinolin-4-one?
3-methyl-2-[4-[2-(trifluoromethyl)phenyl]phenyl]-1H-quinolin-4-one has a molecular weight of 379.38 g/mol, XLogP of 6.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[4-[2-(trifluoromethyl)phenyl]phenyl]-1H-quinolin-4-one is sourced from PubChem (CID 67617138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).