6-(1-cyclobutylpiperidin-4-yl)oxy-1-(3,5-difluorophenyl)-3,4-dihydroquinolin-2-one

C24H26F2N2O2 — CID 46866327

IUPAC6-(1-cyclobutylpiperidin-4-yl)oxy-1-(3,5-difluorophenyl)-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2cc(OC3CCN(C4CCC4)CC3)ccc2N1c1cc(F)cc(F)c1
InChIInChI=1S/C24H26F2N2O2/c25-17-13-18(26)15-20(14-17)28-23-6-5-22(12-16(23)4-7-24(28)29)30-21-8-10-27(11-9-21)19-2-1-3-19/h5-6,12-15,19,21H,1-4,7-11H2
InChIKeyQATOPACCLYZBBX-UHFFFAOYSA-N
MW412.48 g/mol
LogP4.97
Rot. Bonds4

About 6-(1-cyclobutylpiperidin-4-yl)oxy-1-(3,5-difluorophenyl)-3,4-dihydroquinolin-2-one

6-(1-cyclobutylpiperidin-4-yl)oxy-1-(3,5-difluorophenyl)-3,4-dihydroquinolin-2-one (PubChem CID 46866327) has the molecular formula C24H26F2N2O2 and a molecular weight of 412.48 g/mol. Its IUPAC name is 6-(1-cyclobutylpiperidin-4-yl)oxy-1-(3,5-difluorophenyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-(1-cyclobutylpiperidin-4-yl)oxy-1-(3,5-difluorophenyl)-3,4-dihydroquinolin-2-one
PubChem CID46866327
Molecular FormulaC24H26F2N2O2
Molecular Weight412.48 g/mol
Exact Mass412.20
IUPAC Name6-(1-cyclobutylpiperidin-4-yl)oxy-1-(3,5-difluorophenyl)-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2cc(OC3CCN(C4CCC4)CC3)ccc2N1c1cc(F)cc(F)c1
InChIInChI=1S/C24H26F2N2O2/c25-17-13-18(26)15-20(14-17)28-23-6-5-22(12-16(23)4-7-24(28)29)30-21-8-10-27(11-9-21)19-2-1-3-19/h5-6,12-15,19,21H,1-4,7-11H2
InChIKeyQATOPACCLYZBBX-UHFFFAOYSA-N
XLogP4.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclobutylpiperidin-4-yl)oxy-1-(3,5-difluorophenyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-(1-cyclobutylpiperidin-4-yl)oxy-1-(3,5-difluorophenyl)-3,4-dihydroquinolin-2-one (CID 46866327) is 6-(1-cyclobutylpiperidin-4-yl)oxy-1-(3,5-difluorophenyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-(1-cyclobutylpiperidin-4-yl)oxy-1-(3,5-difluorophenyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-(1-cyclobutylpiperidin-4-yl)oxy-1-(3,5-difluorophenyl)-3,4-dihydroquinolin-2-one is O=C1CCc2cc(OC3CCN(C4CCC4)CC3)ccc2N1c1cc(F)cc(F)c1.
What is the InChIKey of 6-(1-cyclobutylpiperidin-4-yl)oxy-1-(3,5-difluorophenyl)-3,4-dihydroquinolin-2-one?
The InChIKey is QATOPACCLYZBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N2O2/c25-17-13-18(26)15-20(14-17)28-23-6-5-22(12-16(23)4-7-24(28)29)30-21-8-10-27(11-9-21)19-2-1-3-19/h5-6,12-15,19,21H,1-4,7-11H2.
What are the key properties of 6-(1-cyclobutylpiperidin-4-yl)oxy-1-(3,5-difluorophenyl)-3,4-dihydroquinolin-2-one?
6-(1-cyclobutylpiperidin-4-yl)oxy-1-(3,5-difluorophenyl)-3,4-dihydroquinolin-2-one has a molecular weight of 412.48 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclobutylpiperidin-4-yl)oxy-1-(3,5-difluorophenyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 46866327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).