6-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one

C19H19F3N4O4S — CID 122267904

IUPAC6-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(S(=O)(=O)N3CCCC(Oc4nccc(C(F)(F)F)n4)C3)ccc2N1
InChIInChI=1S/C19H19F3N4O4S/c20-19(21,22)16-7-8-23-18(25-16)30-13-2-1-9-26(11-13)31(28,29)14-4-5-15-12(10-14)3-6-17(27)24-15/h4-5,7-8,10,13H,1-3,6,9,11H2,(H,24,27)
InChIKeyZYNHCKNSGXRUBU-UHFFFAOYSA-N
MW456.45 g/mol
LogP2.61
Rot. Bonds4

About 6-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one

6-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 122267904) has the molecular formula C19H19F3N4O4S and a molecular weight of 456.45 g/mol. Its IUPAC name is 6-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID122267904
Molecular FormulaC19H19F3N4O4S
Molecular Weight456.45 g/mol
Exact Mass456.11
IUPAC Name6-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(S(=O)(=O)N3CCCC(Oc4nccc(C(F)(F)F)n4)C3)ccc2N1
InChIInChI=1S/C19H19F3N4O4S/c20-19(21,22)16-7-8-23-18(25-16)30-13-2-1-9-26(11-13)31(28,29)14-4-5-15-12(10-14)3-6-17(27)24-15/h4-5,7-8,10,13H,1-3,6,9,11H2,(H,24,27)
InChIKeyZYNHCKNSGXRUBU-UHFFFAOYSA-N
XLogP2.61
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 122267262
6-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 122268486
N-[4-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonylphenyl]acetamide
CID 122267799
2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-yl]oxy-4-(trifluoromethyl)pyrimidine
CID 122267886
2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxy-4-(trifluoromethyl)pyrimidine
CID 122267888
(3S)-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide
CID 8799638
6-[[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one
CID 95765166
6-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 75400365
6-(4-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 3648361
2-[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122257613
6-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 122269029
6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 16677670

Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one (CID 122267904) is 6-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(S(=O)(=O)N3CCCC(Oc4nccc(C(F)(F)F)n4)C3)ccc2N1.
What is the InChIKey of 6-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ZYNHCKNSGXRUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O4S/c20-19(21,22)16-7-8-23-18(25-16)30-13-2-1-9-26(11-13)31(28,29)14-4-5-15-12(10-14)3-6-17(27)24-15/h4-5,7-8,10,13H,1-3,6,9,11H2,(H,24,27).
What are the key properties of 6-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?
6-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 456.45 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 122267904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).