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

C17H19F3N2O2 — CID 22279100

IUPAC6-[2-(2-hydroxyethyl)piperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2cc(N3CCCCC3CCO)ccc2[nH]1
InChIInChI=1S/C17H19F3N2O2/c18-17(19,20)14-10-16(24)21-15-5-4-12(9-13(14)15)22-7-2-1-3-11(22)6-8-23/h4-5,9-11,23H,1-3,6-8H2,(H,21,24)
InChIKeySSPJEPFPRBUSHU-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.29
Rot. Bonds3

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

6-[2-(2-hydroxyethyl)piperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 22279100) has the molecular formula C17H19F3N2O2 and a molecular weight of 340.35 g/mol. Its IUPAC name is 6-[2-(2-hydroxyethyl)piperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-(2-hydroxyethyl)piperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID22279100
Molecular FormulaC17H19F3N2O2
Molecular Weight340.35 g/mol
Exact Mass340.14
IUPAC Name6-[2-(2-hydroxyethyl)piperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2cc(N3CCCCC3CCO)ccc2[nH]1
InChIInChI=1S/C17H19F3N2O2/c18-17(19,20)14-10-16(24)21-15-5-4-12(9-13(14)15)22-7-2-1-3-11(22)6-8-23/h4-5,9-11,23H,1-3,6-8H2,(H,21,24)
InChIKeySSPJEPFPRBUSHU-UHFFFAOYSA-N
XLogP3.29
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-hydroxyethyl)piperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 6-[2-(2-hydroxyethyl)piperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one (CID 22279100) is 6-[2-(2-hydroxyethyl)piperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-(2-hydroxyethyl)piperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-[2-(2-hydroxyethyl)piperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one is O=c1cc(C(F)(F)F)c2cc(N3CCCCC3CCO)ccc2[nH]1.
What is the InChIKey of 6-[2-(2-hydroxyethyl)piperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is SSPJEPFPRBUSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O2/c18-17(19,20)14-10-16(24)21-15-5-4-12(9-13(14)15)22-7-2-1-3-11(22)6-8-23/h4-5,9-11,23H,1-3,6-8H2,(H,21,24).
What are the key properties of 6-[2-(2-hydroxyethyl)piperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one?
6-[2-(2-hydroxyethyl)piperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 340.35 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-hydroxyethyl)piperidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 22279100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).