5-chloro-6-(4-fluoro-4-phenylpiperidin-1-yl)-1H-quinolin-2-one

C20H18ClFN2O — CID 169119762

IUPAC5-chloro-6-(4-fluoro-4-phenylpiperidin-1-yl)-1H-quinolin-2-one
SMILESO=c1ccc2c(Cl)c(N3CCC(F)(c4ccccc4)CC3)ccc2[nH]1
InChIInChI=1S/C20H18ClFN2O/c21-19-15-6-9-18(25)23-16(15)7-8-17(19)24-12-10-20(22,11-13-24)14-4-2-1-3-5-14/h1-9H,10-13H2,(H,23,25)
InChIKeyDFHFFPQRKCLIKV-UHFFFAOYSA-N
MW356.83 g/mol
LogP4.65
Rot. Bonds2

About 5-chloro-6-(4-fluoro-4-phenylpiperidin-1-yl)-1H-quinolin-2-one

5-chloro-6-(4-fluoro-4-phenylpiperidin-1-yl)-1H-quinolin-2-one (PubChem CID 169119762) has the molecular formula C20H18ClFN2O and a molecular weight of 356.83 g/mol. Its IUPAC name is 5-chloro-6-(4-fluoro-4-phenylpiperidin-1-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name5-chloro-6-(4-fluoro-4-phenylpiperidin-1-yl)-1H-quinolin-2-one
PubChem CID169119762
Molecular FormulaC20H18ClFN2O
Molecular Weight356.83 g/mol
Exact Mass356.11
IUPAC Name5-chloro-6-(4-fluoro-4-phenylpiperidin-1-yl)-1H-quinolin-2-one
SMILESO=c1ccc2c(Cl)c(N3CCC(F)(c4ccccc4)CC3)ccc2[nH]1
InChIInChI=1S/C20H18ClFN2O/c21-19-15-6-9-18(25)23-16(15)7-8-17(19)24-12-10-20(22,11-13-24)14-4-2-1-3-5-14/h1-9H,10-13H2,(H,23,25)
InChIKeyDFHFFPQRKCLIKV-UHFFFAOYSA-N
XLogP4.65
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.83
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(4-fluoro-4-phenylpiperidin-1-yl)-1H-quinolin-2-one?
The IUPAC name of 5-chloro-6-(4-fluoro-4-phenylpiperidin-1-yl)-1H-quinolin-2-one (CID 169119762) is 5-chloro-6-(4-fluoro-4-phenylpiperidin-1-yl)-1H-quinolin-2-one.
What is the SMILES notation for 5-chloro-6-(4-fluoro-4-phenylpiperidin-1-yl)-1H-quinolin-2-one?
The canonical SMILES for 5-chloro-6-(4-fluoro-4-phenylpiperidin-1-yl)-1H-quinolin-2-one is O=c1ccc2c(Cl)c(N3CCC(F)(c4ccccc4)CC3)ccc2[nH]1.
What is the InChIKey of 5-chloro-6-(4-fluoro-4-phenylpiperidin-1-yl)-1H-quinolin-2-one?
The InChIKey is DFHFFPQRKCLIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O/c21-19-15-6-9-18(25)23-16(15)7-8-17(19)24-12-10-20(22,11-13-24)14-4-2-1-3-5-14/h1-9H,10-13H2,(H,23,25).
What are the key properties of 5-chloro-6-(4-fluoro-4-phenylpiperidin-1-yl)-1H-quinolin-2-one?
5-chloro-6-(4-fluoro-4-phenylpiperidin-1-yl)-1H-quinolin-2-one has a molecular weight of 356.83 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(4-fluoro-4-phenylpiperidin-1-yl)-1H-quinolin-2-one is sourced from PubChem (CID 169119762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).