2-[(4-ethoxypiperidin-1-yl)methyl]-6-fluoro-1H-quinolin-4-one

C17H21FN2O2 — CID 72904106

IUPAC2-[(4-ethoxypiperidin-1-yl)methyl]-6-fluoro-1H-quinolin-4-one
SMILESCCOC1CCN(Cc2cc(=O)c3cc(F)ccc3[nH]2)CC1
InChIInChI=1S/C17H21FN2O2/c1-2-22-14-5-7-20(8-6-14)11-13-10-17(21)15-9-12(18)3-4-16(15)19-13/h3-4,9-10,14H,2,5-8,11H2,1H3,(H,19,21)
InChIKeyWNEIYNKGYRJZMI-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.67
Rot. Bonds4

About 2-[(4-ethoxypiperidin-1-yl)methyl]-6-fluoro-1H-quinolin-4-one

2-[(4-ethoxypiperidin-1-yl)methyl]-6-fluoro-1H-quinolin-4-one (PubChem CID 72904106) has the molecular formula C17H21FN2O2 and a molecular weight of 304.36 g/mol. Its IUPAC name is 2-[(4-ethoxypiperidin-1-yl)methyl]-6-fluoro-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[(4-ethoxypiperidin-1-yl)methyl]-6-fluoro-1H-quinolin-4-one
PubChem CID72904106
Molecular FormulaC17H21FN2O2
Molecular Weight304.36 g/mol
Exact Mass304.16
IUPAC Name2-[(4-ethoxypiperidin-1-yl)methyl]-6-fluoro-1H-quinolin-4-one
SMILESCCOC1CCN(Cc2cc(=O)c3cc(F)ccc3[nH]2)CC1
InChIInChI=1S/C17H21FN2O2/c1-2-22-14-5-7-20(8-6-14)11-13-10-17(21)15-9-12(18)3-4-16(15)19-13/h3-4,9-10,14H,2,5-8,11H2,1H3,(H,19,21)
InChIKeyWNEIYNKGYRJZMI-UHFFFAOYSA-N
XLogP2.67
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxypiperidin-1-yl)methyl]-6-fluoro-1H-quinolin-4-one?
The IUPAC name of 2-[(4-ethoxypiperidin-1-yl)methyl]-6-fluoro-1H-quinolin-4-one (CID 72904106) is 2-[(4-ethoxypiperidin-1-yl)methyl]-6-fluoro-1H-quinolin-4-one.
What is the SMILES notation for 2-[(4-ethoxypiperidin-1-yl)methyl]-6-fluoro-1H-quinolin-4-one?
The canonical SMILES for 2-[(4-ethoxypiperidin-1-yl)methyl]-6-fluoro-1H-quinolin-4-one is CCOC1CCN(Cc2cc(=O)c3cc(F)ccc3[nH]2)CC1.
What is the InChIKey of 2-[(4-ethoxypiperidin-1-yl)methyl]-6-fluoro-1H-quinolin-4-one?
The InChIKey is WNEIYNKGYRJZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-2-22-14-5-7-20(8-6-14)11-13-10-17(21)15-9-12(18)3-4-16(15)19-13/h3-4,9-10,14H,2,5-8,11H2,1H3,(H,19,21).
What are the key properties of 2-[(4-ethoxypiperidin-1-yl)methyl]-6-fluoro-1H-quinolin-4-one?
2-[(4-ethoxypiperidin-1-yl)methyl]-6-fluoro-1H-quinolin-4-one has a molecular weight of 304.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxypiperidin-1-yl)methyl]-6-fluoro-1H-quinolin-4-one is sourced from PubChem (CID 72904106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).