6-fluoro-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1H-quinolin-4-one

C16H16F4N2O — CID 72871549

IUPAC6-fluoro-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1H-quinolin-4-one
SMILESO=c1cc(CN2CCC(C(F)(F)F)CC2)[nH]c2ccc(F)cc12
InChIInChI=1S/C16H16F4N2O/c17-11-1-2-14-13(7-11)15(23)8-12(21-14)9-22-5-3-10(4-6-22)16(18,19)20/h1-2,7-8,10H,3-6,9H2,(H,21,23)
InChIKeyAXKWYLXAULPYQO-UHFFFAOYSA-N
MW328.31 g/mol
LogP3.44
Rot. Bonds2

About 6-fluoro-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1H-quinolin-4-one

6-fluoro-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1H-quinolin-4-one (PubChem CID 72871549) has the molecular formula C16H16F4N2O and a molecular weight of 328.31 g/mol. Its IUPAC name is 6-fluoro-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6-fluoro-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1H-quinolin-4-one
PubChem CID72871549
Molecular FormulaC16H16F4N2O
Molecular Weight328.31 g/mol
Exact Mass328.12
IUPAC Name6-fluoro-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1H-quinolin-4-one
SMILESO=c1cc(CN2CCC(C(F)(F)F)CC2)[nH]c2ccc(F)cc12
InChIInChI=1S/C16H16F4N2O/c17-11-1-2-14-13(7-11)15(23)8-12(21-14)9-22-5-3-10(4-6-22)16(18,19)20/h1-2,7-8,10H,3-6,9H2,(H,21,23)
InChIKeyAXKWYLXAULPYQO-UHFFFAOYSA-N
XLogP3.44
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.31
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1H-quinolin-4-one?
The IUPAC name of 6-fluoro-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1H-quinolin-4-one (CID 72871549) is 6-fluoro-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 6-fluoro-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1H-quinolin-4-one?
The canonical SMILES for 6-fluoro-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1H-quinolin-4-one is O=c1cc(CN2CCC(C(F)(F)F)CC2)[nH]c2ccc(F)cc12.
What is the InChIKey of 6-fluoro-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1H-quinolin-4-one?
The InChIKey is AXKWYLXAULPYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F4N2O/c17-11-1-2-14-13(7-11)15(23)8-12(21-14)9-22-5-3-10(4-6-22)16(18,19)20/h1-2,7-8,10H,3-6,9H2,(H,21,23).
What are the key properties of 6-fluoro-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1H-quinolin-4-one?
6-fluoro-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1H-quinolin-4-one has a molecular weight of 328.31 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 72871549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).