(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone

C16H21FN2O4S — CID 110636555

IUPAC(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCC(O)c3cc(F)ccc32)CC1
InChIInChI=1S/C16H21FN2O4S/c1-24(22,23)18-7-4-11(5-8-18)16(21)19-9-6-15(20)13-10-12(17)2-3-14(13)19/h2-3,10-11,15,20H,4-9H2,1H3
InChIKeyXNGYBPJVDGWRBU-UHFFFAOYSA-N
MW356.42 g/mol
LogP1.27
Rot. Bonds2

About (6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone

(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone (PubChem CID 110636555) has the molecular formula C16H21FN2O4S and a molecular weight of 356.42 g/mol. Its IUPAC name is (6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
PubChem CID110636555
Molecular FormulaC16H21FN2O4S
Molecular Weight356.42 g/mol
Exact Mass356.12
IUPAC Name(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCC(O)c3cc(F)ccc32)CC1
InChIInChI=1S/C16H21FN2O4S/c1-24(22,23)18-7-4-11(5-8-18)16(21)19-9-6-15(20)13-10-12(17)2-3-14(13)19/h2-3,10-11,15,20H,4-9H2,1H3
InChIKeyXNGYBPJVDGWRBU-UHFFFAOYSA-N
XLogP1.27
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of (6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone (CID 110636555) is (6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for (6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for (6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone is CS(=O)(=O)N1CCC(C(=O)N2CCC(O)c3cc(F)ccc32)CC1.
What is the InChIKey of (6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone?
The InChIKey is XNGYBPJVDGWRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O4S/c1-24(22,23)18-7-4-11(5-8-18)16(21)19-9-6-15(20)13-10-12(17)2-3-14(13)19/h2-3,10-11,15,20H,4-9H2,1H3.
What are the key properties of (6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone?
(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone has a molecular weight of 356.42 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 110636555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).