6-(4-tert-butylphenyl)-4-(trifluoromethyl)-1H-quinolin-2-one

C20H18F3NO — CID 22279021

IUPAC6-(4-tert-butylphenyl)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCC(C)(C)c1ccc(-c2ccc3[nH]c(=O)cc(C(F)(F)F)c3c2)cc1
InChIInChI=1S/C20H18F3NO/c1-19(2,3)14-7-4-12(5-8-14)13-6-9-17-15(10-13)16(20(21,22)23)11-18(25)24-17/h4-11H,1-3H3,(H,24,25)
InChIKeyRKAICGYMMHKHFG-UHFFFAOYSA-N
MW345.36 g/mol
LogP5.51
Rot. Bonds1

About 6-(4-tert-butylphenyl)-4-(trifluoromethyl)-1H-quinolin-2-one

6-(4-tert-butylphenyl)-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 22279021) has the molecular formula C20H18F3NO and a molecular weight of 345.36 g/mol. Its IUPAC name is 6-(4-tert-butylphenyl)-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(4-tert-butylphenyl)-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID22279021
Molecular FormulaC20H18F3NO
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name6-(4-tert-butylphenyl)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESCC(C)(C)c1ccc(-c2ccc3[nH]c(=O)cc(C(F)(F)F)c3c2)cc1
InChIInChI=1S/C20H18F3NO/c1-19(2,3)14-7-4-12(5-8-14)13-6-9-17-15(10-13)16(20(21,22)23)11-18(25)24-17/h4-11H,1-3H3,(H,24,25)
InChIKeyRKAICGYMMHKHFG-UHFFFAOYSA-N
XLogP5.51
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.36
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylphenyl)-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 6-(4-tert-butylphenyl)-4-(trifluoromethyl)-1H-quinolin-2-one (CID 22279021) is 6-(4-tert-butylphenyl)-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-(4-tert-butylphenyl)-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-(4-tert-butylphenyl)-4-(trifluoromethyl)-1H-quinolin-2-one is CC(C)(C)c1ccc(-c2ccc3[nH]c(=O)cc(C(F)(F)F)c3c2)cc1.
What is the InChIKey of 6-(4-tert-butylphenyl)-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is RKAICGYMMHKHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3NO/c1-19(2,3)14-7-4-12(5-8-14)13-6-9-17-15(10-13)16(20(21,22)23)11-18(25)24-17/h4-11H,1-3H3,(H,24,25).
What are the key properties of 6-(4-tert-butylphenyl)-4-(trifluoromethyl)-1H-quinolin-2-one?
6-(4-tert-butylphenyl)-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 345.36 g/mol, XLogP of 5.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylphenyl)-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 22279021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).