1-(4-quinolin-6-yloxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone

C26H30N2O2 — CID 160765326

IUPAC1-(4-quinolin-6-yloxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
SMILESCC1(C)CC(CC(=O)c2ccc(Oc3ccc4ncccc4c3)cc2)CC(C)(C)N1
InChIInChI=1S/C26H30N2O2/c1-25(2)16-18(17-26(3,4)28-25)14-24(29)19-7-9-21(10-8-19)30-22-11-12-23-20(15-22)6-5-13-27-23/h5-13,15,18,28H,14,16-17H2,1-4H3
InChIKeyRYPODUUVPRTOGI-UHFFFAOYSA-N
MW402.54 g/mol
LogP6.16
Rot. Bonds5

About 1-(4-quinolin-6-yloxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone

1-(4-quinolin-6-yloxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone (PubChem CID 160765326) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 1-(4-quinolin-6-yloxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-quinolin-6-yloxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
PubChem CID160765326
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC Name1-(4-quinolin-6-yloxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
SMILESCC1(C)CC(CC(=O)c2ccc(Oc3ccc4ncccc4c3)cc2)CC(C)(C)N1
InChIInChI=1S/C26H30N2O2/c1-25(2)16-18(17-26(3,4)28-25)14-24(29)19-7-9-21(10-8-19)30-22-11-12-23-20(15-22)6-5-13-27-23/h5-13,15,18,28H,14,16-17H2,1-4H3
InChIKeyRYPODUUVPRTOGI-UHFFFAOYSA-N
XLogP6.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-quinolin-6-yloxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?
The IUPAC name of 1-(4-quinolin-6-yloxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone (CID 160765326) is 1-(4-quinolin-6-yloxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-(4-quinolin-6-yloxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-(4-quinolin-6-yloxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone is CC1(C)CC(CC(=O)c2ccc(Oc3ccc4ncccc4c3)cc2)CC(C)(C)N1.
What is the InChIKey of 1-(4-quinolin-6-yloxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?
The InChIKey is RYPODUUVPRTOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-25(2)16-18(17-26(3,4)28-25)14-24(29)19-7-9-21(10-8-19)30-22-11-12-23-20(15-22)6-5-13-27-23/h5-13,15,18,28H,14,16-17H2,1-4H3.
What are the key properties of 1-(4-quinolin-6-yloxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?
1-(4-quinolin-6-yloxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone has a molecular weight of 402.54 g/mol, XLogP of 6.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-quinolin-6-yloxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone is sourced from PubChem (CID 160765326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).