5-[[1-(2-chloro-4,6-difluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one

C21H20ClF3N2O3 — CID 118903865

IUPAC5-[[1-(2-chloro-4,6-difluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(OCC3(O)CCN(c4c(F)cc(F)cc4Cl)CC3)ccc(F)c2N1
InChIInChI=1S/C21H20ClF3N2O3/c22-14-9-12(23)10-16(25)20(14)27-7-5-21(29,6-8-27)11-30-17-3-2-15(24)19-13(17)1-4-18(28)26-19/h2-3,9-10,29H,1,4-8,11H2,(H,26,28)
InChIKeyCERIZIQPUUVMDQ-UHFFFAOYSA-N
MW440.85 g/mol
LogP4.05
Rot. Bonds4

About 5-[[1-(2-chloro-4,6-difluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one

5-[[1-(2-chloro-4,6-difluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 118903865) has the molecular formula C21H20ClF3N2O3 and a molecular weight of 440.85 g/mol. Its IUPAC name is 5-[[1-(2-chloro-4,6-difluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[[1-(2-chloro-4,6-difluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one
PubChem CID118903865
Molecular FormulaC21H20ClF3N2O3
Molecular Weight440.85 g/mol
Exact Mass440.11
IUPAC Name5-[[1-(2-chloro-4,6-difluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(OCC3(O)CCN(c4c(F)cc(F)cc4Cl)CC3)ccc(F)c2N1
InChIInChI=1S/C21H20ClF3N2O3/c22-14-9-12(23)10-16(25)20(14)27-7-5-21(29,6-8-27)11-30-17-3-2-15(24)19-13(17)1-4-18(28)26-19/h2-3,9-10,29H,1,4-8,11H2,(H,26,28)
InChIKeyCERIZIQPUUVMDQ-UHFFFAOYSA-N
XLogP4.05
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.85
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[1-(2-chloro-4,6-difluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-chloro-4,6-difluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 5-[[1-(2-chloro-4,6-difluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one (CID 118903865) is 5-[[1-(2-chloro-4,6-difluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 5-[[1-(2-chloro-4,6-difluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 5-[[1-(2-chloro-4,6-difluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2c(OCC3(O)CCN(c4c(F)cc(F)cc4Cl)CC3)ccc(F)c2N1.
What is the InChIKey of 5-[[1-(2-chloro-4,6-difluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is CERIZIQPUUVMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClF3N2O3/c22-14-9-12(23)10-16(25)20(14)27-7-5-21(29,6-8-27)11-30-17-3-2-15(24)19-13(17)1-4-18(28)26-19/h2-3,9-10,29H,1,4-8,11H2,(H,26,28).
What are the key properties of 5-[[1-(2-chloro-4,6-difluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one?
5-[[1-(2-chloro-4,6-difluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 440.85 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-chloro-4,6-difluorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 118903865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).