6-fluoro-1-(2-piperidin-2-ylethyl)-3,4-dihydroquinolin-2-one

C16H21FN2O — CID 61345345

IUPAC6-fluoro-1-(2-piperidin-2-ylethyl)-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2cc(F)ccc2N1CCC1CCCCN1
InChIInChI=1S/C16H21FN2O/c17-13-5-6-15-12(11-13)4-7-16(20)19(15)10-8-14-3-1-2-9-18-14/h5-6,11,14,18H,1-4,7-10H2
InChIKeyJNKLAZGIUXOIQD-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.64
Rot. Bonds3

About 6-fluoro-1-(2-piperidin-2-ylethyl)-3,4-dihydroquinolin-2-one

6-fluoro-1-(2-piperidin-2-ylethyl)-3,4-dihydroquinolin-2-one (PubChem CID 61345345) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is 6-fluoro-1-(2-piperidin-2-ylethyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-fluoro-1-(2-piperidin-2-ylethyl)-3,4-dihydroquinolin-2-one
PubChem CID61345345
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC Name6-fluoro-1-(2-piperidin-2-ylethyl)-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2cc(F)ccc2N1CCC1CCCCN1
InChIInChI=1S/C16H21FN2O/c17-13-5-6-15-12(11-13)4-7-16(20)19(15)10-8-14-3-1-2-9-18-14/h5-6,11,14,18H,1-4,7-10H2
InChIKeyJNKLAZGIUXOIQD-UHFFFAOYSA-N
XLogP2.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(2-piperidin-2-ylethyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-fluoro-1-(2-piperidin-2-ylethyl)-3,4-dihydroquinolin-2-one (CID 61345345) is 6-fluoro-1-(2-piperidin-2-ylethyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-fluoro-1-(2-piperidin-2-ylethyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-fluoro-1-(2-piperidin-2-ylethyl)-3,4-dihydroquinolin-2-one is O=C1CCc2cc(F)ccc2N1CCC1CCCCN1.
What is the InChIKey of 6-fluoro-1-(2-piperidin-2-ylethyl)-3,4-dihydroquinolin-2-one?
The InChIKey is JNKLAZGIUXOIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c17-13-5-6-15-12(11-13)4-7-16(20)19(15)10-8-14-3-1-2-9-18-14/h5-6,11,14,18H,1-4,7-10H2.
What are the key properties of 6-fluoro-1-(2-piperidin-2-ylethyl)-3,4-dihydroquinolin-2-one?
6-fluoro-1-(2-piperidin-2-ylethyl)-3,4-dihydroquinolin-2-one has a molecular weight of 276.35 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(2-piperidin-2-ylethyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 61345345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).