5-[[1-(2-chlorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one

C21H22ClFN2O3 — CID 118903838

IUPAC5-[[1-(2-chlorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(OCC3(O)CCN(c4ccccc4Cl)CC3)ccc(F)c2N1
InChIInChI=1S/C21H22ClFN2O3/c22-15-3-1-2-4-17(15)25-11-9-21(27,10-12-25)13-28-18-7-6-16(23)20-14(18)5-8-19(26)24-20/h1-4,6-7,27H,5,8-13H2,(H,24,26)
InChIKeyHJFWYJNTGMYODJ-UHFFFAOYSA-N
MW404.87 g/mol
LogP3.77
Rot. Bonds4

About 5-[[1-(2-chlorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one

5-[[1-(2-chlorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 118903838) has the molecular formula C21H22ClFN2O3 and a molecular weight of 404.87 g/mol. Its IUPAC name is 5-[[1-(2-chlorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[[1-(2-chlorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one
PubChem CID118903838
Molecular FormulaC21H22ClFN2O3
Molecular Weight404.87 g/mol
Exact Mass404.13
IUPAC Name5-[[1-(2-chlorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(OCC3(O)CCN(c4ccccc4Cl)CC3)ccc(F)c2N1
InChIInChI=1S/C21H22ClFN2O3/c22-15-3-1-2-4-17(15)25-11-9-21(27,10-12-25)13-28-18-7-6-16(23)20-14(18)5-8-19(26)24-20/h1-4,6-7,27H,5,8-13H2,(H,24,26)
InChIKeyHJFWYJNTGMYODJ-UHFFFAOYSA-N
XLogP3.77
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.87
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-chlorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 5-[[1-(2-chlorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one (CID 118903838) is 5-[[1-(2-chlorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 5-[[1-(2-chlorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 5-[[1-(2-chlorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2c(OCC3(O)CCN(c4ccccc4Cl)CC3)ccc(F)c2N1.
What is the InChIKey of 5-[[1-(2-chlorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is HJFWYJNTGMYODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN2O3/c22-15-3-1-2-4-17(15)25-11-9-21(27,10-12-25)13-28-18-7-6-16(23)20-14(18)5-8-19(26)24-20/h1-4,6-7,27H,5,8-13H2,(H,24,26).
What are the key properties of 5-[[1-(2-chlorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one?
5-[[1-(2-chlorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 404.87 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-chlorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 118903838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).