2-(5,7-dibromoquinolin-8-yl)oxy-1-(2-ethylpiperidin-1-yl)ethanone

C18H20Br2N2O2 — CID 4836291

IUPAC2-(5,7-dibromoquinolin-8-yl)oxy-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)COc1c(Br)cc(Br)c2cccnc12
InChIInChI=1S/C18H20Br2N2O2/c1-2-12-6-3-4-9-22(12)16(23)11-24-18-15(20)10-14(19)13-7-5-8-21-17(13)18/h5,7-8,10,12H,2-4,6,9,11H2,1H3
InChIKeyYNIRLGBNRQYQLX-UHFFFAOYSA-N
MW456.18 g/mol
LogP4.93
Rot. Bonds4

About 2-(5,7-dibromoquinolin-8-yl)oxy-1-(2-ethylpiperidin-1-yl)ethanone

2-(5,7-dibromoquinolin-8-yl)oxy-1-(2-ethylpiperidin-1-yl)ethanone (PubChem CID 4836291) has the molecular formula C18H20Br2N2O2 and a molecular weight of 456.18 g/mol. Its IUPAC name is 2-(5,7-dibromoquinolin-8-yl)oxy-1-(2-ethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(5,7-dibromoquinolin-8-yl)oxy-1-(2-ethylpiperidin-1-yl)ethanone
PubChem CID4836291
Molecular FormulaC18H20Br2N2O2
Molecular Weight456.18 g/mol
Exact Mass453.99
IUPAC Name2-(5,7-dibromoquinolin-8-yl)oxy-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)COc1c(Br)cc(Br)c2cccnc12
InChIInChI=1S/C18H20Br2N2O2/c1-2-12-6-3-4-9-22(12)16(23)11-24-18-15(20)10-14(19)13-7-5-8-21-17(13)18/h5,7-8,10,12H,2-4,6,9,11H2,1H3
InChIKeyYNIRLGBNRQYQLX-UHFFFAOYSA-N
XLogP4.93
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.18
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dibromoquinolin-8-yl)oxy-1-(2-ethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(5,7-dibromoquinolin-8-yl)oxy-1-(2-ethylpiperidin-1-yl)ethanone (CID 4836291) is 2-(5,7-dibromoquinolin-8-yl)oxy-1-(2-ethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(5,7-dibromoquinolin-8-yl)oxy-1-(2-ethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(5,7-dibromoquinolin-8-yl)oxy-1-(2-ethylpiperidin-1-yl)ethanone is CCC1CCCCN1C(=O)COc1c(Br)cc(Br)c2cccnc12.
What is the InChIKey of 2-(5,7-dibromoquinolin-8-yl)oxy-1-(2-ethylpiperidin-1-yl)ethanone?
The InChIKey is YNIRLGBNRQYQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Br2N2O2/c1-2-12-6-3-4-9-22(12)16(23)11-24-18-15(20)10-14(19)13-7-5-8-21-17(13)18/h5,7-8,10,12H,2-4,6,9,11H2,1H3.
What are the key properties of 2-(5,7-dibromoquinolin-8-yl)oxy-1-(2-ethylpiperidin-1-yl)ethanone?
2-(5,7-dibromoquinolin-8-yl)oxy-1-(2-ethylpiperidin-1-yl)ethanone has a molecular weight of 456.18 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dibromoquinolin-8-yl)oxy-1-(2-ethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 4836291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).