5-[[1-(4-bromo-2-fluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-7-fluoro-8-methyl-3,4-dihydro-1H-quinolin-2-one

C22H23BrF2N2O3 — CID 118904348

IUPAC5-[[1-(4-bromo-2-fluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-7-fluoro-8-methyl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1c(F)cc(OCC2(O)CCN(c3ccc(Br)cc3F)CC2)c2c1NC(=O)CC2
InChIInChI=1S/C22H23BrF2N2O3/c1-13-16(24)11-19(15-3-5-20(28)26-21(13)15)30-12-22(29)6-8-27(9-7-22)18-4-2-14(23)10-17(18)25/h2,4,10-11,29H,3,5-9,12H2,1H3,(H,26,28)
InChIKeyPUCGECQSNXXOPL-UHFFFAOYSA-N
MW481.34 g/mol
LogP4.33
Rot. Bonds4

About 5-[[1-(4-bromo-2-fluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-7-fluoro-8-methyl-3,4-dihydro-1H-quinolin-2-one

5-[[1-(4-bromo-2-fluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-7-fluoro-8-methyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 118904348) has the molecular formula C22H23BrF2N2O3 and a molecular weight of 481.34 g/mol. Its IUPAC name is 5-[[1-(4-bromo-2-fluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-7-fluoro-8-methyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[[1-(4-bromo-2-fluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-7-fluoro-8-methyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID118904348
Molecular FormulaC22H23BrF2N2O3
Molecular Weight481.34 g/mol
Exact Mass480.09
IUPAC Name5-[[1-(4-bromo-2-fluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-7-fluoro-8-methyl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1c(F)cc(OCC2(O)CCN(c3ccc(Br)cc3F)CC2)c2c1NC(=O)CC2
InChIInChI=1S/C22H23BrF2N2O3/c1-13-16(24)11-19(15-3-5-20(28)26-21(13)15)30-12-22(29)6-8-27(9-7-22)18-4-2-14(23)10-17(18)25/h2,4,10-11,29H,3,5-9,12H2,1H3,(H,26,28)
InChIKeyPUCGECQSNXXOPL-UHFFFAOYSA-N
XLogP4.33
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.34
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(3R,4R)-1-(4-bromo-2-fluorophenyl)-3,4-dihydroxypiperidin-4-yl]methoxy]-8-chloro-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 118904012
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-[[(3R,4R)-1-(4-bromo-2-fluorophenyl)-3,4-dihydroxypiperidin-4-yl]methoxy]-8-chloro-3,4-dihydro-1H-quinolin-2-one
CID 118904089
8-chloro-5-[[1-(2,4-difluoro-5-methoxyphenyl)-4-hydroxypiperidin-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 118904681
8-fluoro-5-[(4-hydroxy-1-phenylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 118905031
5-[[1-(2,3-dichlorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 118904206
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-[2,6-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]-4-hydroxypiperidin-4-yl]methoxy]-7,8-difluoro-3,4-dihydro-1H-quinolin-2-one
CID 118904656
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
5-[[1-(4-chloro-2-fluorophenyl)-4-hydroxypiperidin-4-yl]methylsulfonyl]-8-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 118904170
5-[[(3R,4R)-1-(4-bromo-2,6-difluorophenyl)-3,4-dihydroxypiperidin-4-yl]methoxy]-8-chloro-3,4-dihydro-1H-quinolin-2-one
CID 118904261

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(4-bromo-2-fluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-7-fluoro-8-methyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 5-[[1-(4-bromo-2-fluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-7-fluoro-8-methyl-3,4-dihydro-1H-quinolin-2-one (CID 118904348) is 5-[[1-(4-bromo-2-fluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-7-fluoro-8-methyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 5-[[1-(4-bromo-2-fluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-7-fluoro-8-methyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 5-[[1-(4-bromo-2-fluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-7-fluoro-8-methyl-3,4-dihydro-1H-quinolin-2-one is Cc1c(F)cc(OCC2(O)CCN(c3ccc(Br)cc3F)CC2)c2c1NC(=O)CC2.
What is the InChIKey of 5-[[1-(4-bromo-2-fluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-7-fluoro-8-methyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is PUCGECQSNXXOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrF2N2O3/c1-13-16(24)11-19(15-3-5-20(28)26-21(13)15)30-12-22(29)6-8-27(9-7-22)18-4-2-14(23)10-17(18)25/h2,4,10-11,29H,3,5-9,12H2,1H3,(H,26,28).
What are the key properties of 5-[[1-(4-bromo-2-fluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-7-fluoro-8-methyl-3,4-dihydro-1H-quinolin-2-one?
5-[[1-(4-bromo-2-fluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-7-fluoro-8-methyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 481.34 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(4-bromo-2-fluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-7-fluoro-8-methyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 118904348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).