6-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxypropyl]-3,4-dihydro-1H-quinolin-2-one

C23H27FN2O3 — CID 21303363

IUPAC6-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxypropyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C(O)c1ccc2c(c1)CCC(=O)N2)N1CCC(O)(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H27FN2O3/c1-15(22(28)17-2-8-20-16(14-17)3-9-21(27)25-20)26-12-10-23(29,11-13-26)18-4-6-19(24)7-5-18/h2,4-8,14-15,22,28-29H,3,9-13H2,1H3,(H,25,27)
InChIKeyFDCWDCYSJSNMNL-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.12
Rot. Bonds4

About 6-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxypropyl]-3,4-dihydro-1H-quinolin-2-one

6-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxypropyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 21303363) has the molecular formula C23H27FN2O3 and a molecular weight of 398.48 g/mol. Its IUPAC name is 6-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxypropyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxypropyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID21303363
Molecular FormulaC23H27FN2O3
Molecular Weight398.48 g/mol
Exact Mass398.20
IUPAC Name6-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxypropyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C(O)c1ccc2c(c1)CCC(=O)N2)N1CCC(O)(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H27FN2O3/c1-15(22(28)17-2-8-20-16(14-17)3-9-21(27)25-20)26-12-10-23(29,11-13-26)18-4-6-19(24)7-5-18/h2,4-8,14-15,22,28-29H,3,9-13H2,1H3,(H,25,27)
InChIKeyFDCWDCYSJSNMNL-UHFFFAOYSA-N
XLogP3.12
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxypropyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

Brefonalol
CID 65880
1-[2-Hydroxy-2-(6-hydroxy-biphenyl-3-yl)-1-methyl-ethyl]-4-phenyl-piperidin-4-ol
CID 12094039
6-(2-(4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl)-1-hydroxypropyl)-1H-benzo[d][1,3]oxazin-2(4H)-one
CID 44442482
6-(2-(4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl)-1-hydroxypropyl)-3,4-dihydroquinazolin-2(1H)-one
CID 44442484
6-(2-(4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl)-1-hydroxypropyl)-3-methyl-3,4-dihydroquinazolin-2(1H)-one
CID 44442485
6-(2-(4-(3,4-dihydro-1H-isochromen-7-yl)-4-hydroxypiperidin-1-yl)-1-hydroxypropyl)-3,4-dihydroquinolin-2(1H)-one
CID 44442486
6-(1-hydroxy-2-(4-hydroxy-4-p-tolylpiperidin-1-yl)propyl)-3,4-dihydroquinolin-2(1H)-one
CID 44442487
6-(2-(4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl)-1-hydroxypropyl)-3,4-dihydroquinolin-2(1H)-one
CID 44442488
6-(2-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-1-hydroxypropyl)-3,4-dihydroquinolin-2(1H)-one
CID 44442490
6-(1-hydroxy-2-(4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl)propyl)-3,4-dihydroquinolin-2(1H)-one
CID 44442491
(R)-6-(2-(4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl)-1-hydroxyethyl)-3,4-dihydroquinolin-2(1H)-one
CID 9843049
5-{2-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-1-hydroxy-ethyl}-1,3-dihydro-indol-2-one
CID 14580202

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxypropyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxypropyl]-3,4-dihydro-1H-quinolin-2-one (CID 21303363) is 6-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxypropyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxypropyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxypropyl]-3,4-dihydro-1H-quinolin-2-one is CC(C(O)c1ccc2c(c1)CCC(=O)N2)N1CCC(O)(c2ccc(F)cc2)CC1.
What is the InChIKey of 6-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxypropyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is FDCWDCYSJSNMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O3/c1-15(22(28)17-2-8-20-16(14-17)3-9-21(27)25-20)26-12-10-23(29,11-13-26)18-4-6-19(24)7-5-18/h2,4-8,14-15,22,28-29H,3,9-13H2,1H3,(H,25,27).
What are the key properties of 6-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxypropyl]-3,4-dihydro-1H-quinolin-2-one?
6-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxypropyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 398.48 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxypropyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 21303363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).