7-[[1-(4-chloro-2-fluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one

C21H22ClFN2O3 — CID 118904788

IUPAC7-[[1-(4-chloro-2-fluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(OCC3(O)CCN(c4ccc(Cl)cc4F)CC3)cc2N1
InChIInChI=1S/C21H22ClFN2O3/c22-15-3-5-19(17(23)11-15)25-9-7-21(27,8-10-25)13-28-16-4-1-14-2-6-20(26)24-18(14)12-16/h1,3-5,11-12,27H,2,6-10,13H2,(H,24,26)
InChIKeyRUOBPJLKHDOLIW-UHFFFAOYSA-N
MW404.87 g/mol
LogP3.77
Rot. Bonds4

About 7-[[1-(4-chloro-2-fluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one

7-[[1-(4-chloro-2-fluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 118904788) has the molecular formula C21H22ClFN2O3 and a molecular weight of 404.87 g/mol. Its IUPAC name is 7-[[1-(4-chloro-2-fluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[[1-(4-chloro-2-fluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID118904788
Molecular FormulaC21H22ClFN2O3
Molecular Weight404.87 g/mol
Exact Mass404.13
IUPAC Name7-[[1-(4-chloro-2-fluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(OCC3(O)CCN(c4ccc(Cl)cc4F)CC3)cc2N1
InChIInChI=1S/C21H22ClFN2O3/c22-15-3-5-19(17(23)11-15)25-9-7-21(27,8-10-25)13-28-16-4-1-14-2-6-20(26)24-18(14)12-16/h1,3-5,11-12,27H,2,6-10,13H2,(H,24,26)
InChIKeyRUOBPJLKHDOLIW-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

Analyze 7-[[1-(4-chloro-2-fluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

8-fluoro-5-[[1-[2-fluoro-4-(2-fluoroethoxy)phenyl]-4-hydroxypiperidin-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 118903879
5-[[1-(4-chloro-2-fluorophenyl)-4-hydroxypiperidin-4-yl]methylsulfonyl]-8-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 118904170
7-[4-[4-(2-fluorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 10715828
7-[3-[4-(2,3-dichloro-4-hydroxyphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 58807602
5-[[(3R,4S)-1-(4-chloro-2-fluorophenyl)-3,4-dihydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 118904965
8-chloro-5-[[(3R,4R)-1-(4-chloro-2-fluorophenyl)-3,4-dihydroxypiperidin-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 118904412
8-chloro-5-[[1-(2,4-difluoro-5-methoxyphenyl)-4-hydroxypiperidin-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 118904681
5-[[1-(4-bromo-2-fluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-7-fluoro-8-methyl-3,4-dihydro-1H-quinolin-2-one
CID 118904348
7-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 112704281
5-[[(3R,4R)-1-(4-chloro-2-fluorophenyl)-3,4-dihydroxypiperidin-4-yl]methoxy]-7,8-difluoro-3,4-dihydro-1H-quinolin-2-one
CID 118905019
5-[[1-(2,3-dichlorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 118904206
7-[[2-(4-chlorophenyl)-4-methylidene-5-oxooxolan-2-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 101048464

Frequently Asked Questions

What is the IUPAC name of 7-[[1-(4-chloro-2-fluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-[[1-(4-chloro-2-fluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one (CID 118904788) is 7-[[1-(4-chloro-2-fluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-[[1-(4-chloro-2-fluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-[[1-(4-chloro-2-fluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2ccc(OCC3(O)CCN(c4ccc(Cl)cc4F)CC3)cc2N1.
What is the InChIKey of 7-[[1-(4-chloro-2-fluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is RUOBPJLKHDOLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN2O3/c22-15-3-5-19(17(23)11-15)25-9-7-21(27,8-10-25)13-28-16-4-1-14-2-6-20(26)24-18(14)12-16/h1,3-5,11-12,27H,2,6-10,13H2,(H,24,26).
What are the key properties of 7-[[1-(4-chloro-2-fluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one?
7-[[1-(4-chloro-2-fluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-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 7-[[1-(4-chloro-2-fluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 118904788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).