1-[(6-fluoro-2-phenylquinolin-3-yl)methyl]piperazin-2-one

C20H18FN3O — CID 69436836

IUPAC1-[(6-fluoro-2-phenylquinolin-3-yl)methyl]piperazin-2-one
SMILESO=C1CNCCN1Cc1cc2cc(F)ccc2nc1-c1ccccc1
InChIInChI=1S/C20H18FN3O/c21-17-6-7-18-15(11-17)10-16(13-24-9-8-22-12-19(24)25)20(23-18)14-4-2-1-3-5-14/h1-7,10-11,22H,8-9,12-13H2
InChIKeyRRLKDQLWELJNDR-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.97
Rot. Bonds3

About 1-[(6-fluoro-2-phenylquinolin-3-yl)methyl]piperazin-2-one

1-[(6-fluoro-2-phenylquinolin-3-yl)methyl]piperazin-2-one (PubChem CID 69436836) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is 1-[(6-fluoro-2-phenylquinolin-3-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name1-[(6-fluoro-2-phenylquinolin-3-yl)methyl]piperazin-2-one
PubChem CID69436836
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name1-[(6-fluoro-2-phenylquinolin-3-yl)methyl]piperazin-2-one
SMILESO=C1CNCCN1Cc1cc2cc(F)ccc2nc1-c1ccccc1
InChIInChI=1S/C20H18FN3O/c21-17-6-7-18-15(11-17)10-16(13-24-9-8-22-12-19(24)25)20(23-18)14-4-2-1-3-5-14/h1-7,10-11,22H,8-9,12-13H2
InChIKeyRRLKDQLWELJNDR-UHFFFAOYSA-N
XLogP2.97
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-fluoro-2-phenylquinolin-3-yl)methyl]piperazin-2-one?
The IUPAC name of 1-[(6-fluoro-2-phenylquinolin-3-yl)methyl]piperazin-2-one (CID 69436836) is 1-[(6-fluoro-2-phenylquinolin-3-yl)methyl]piperazin-2-one.
What is the SMILES notation for 1-[(6-fluoro-2-phenylquinolin-3-yl)methyl]piperazin-2-one?
The canonical SMILES for 1-[(6-fluoro-2-phenylquinolin-3-yl)methyl]piperazin-2-one is O=C1CNCCN1Cc1cc2cc(F)ccc2nc1-c1ccccc1.
What is the InChIKey of 1-[(6-fluoro-2-phenylquinolin-3-yl)methyl]piperazin-2-one?
The InChIKey is RRLKDQLWELJNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c21-17-6-7-18-15(11-17)10-16(13-24-9-8-22-12-19(24)25)20(23-18)14-4-2-1-3-5-14/h1-7,10-11,22H,8-9,12-13H2.
What are the key properties of 1-[(6-fluoro-2-phenylquinolin-3-yl)methyl]piperazin-2-one?
1-[(6-fluoro-2-phenylquinolin-3-yl)methyl]piperazin-2-one has a molecular weight of 335.38 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-fluoro-2-phenylquinolin-3-yl)methyl]piperazin-2-one is sourced from PubChem (CID 69436836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).