2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-6-phenylmethoxyquinoline;hydrochloride

C26H33ClN2O2 — CID 67072975

IUPAC2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-6-phenylmethoxyquinoline;hydrochloride
SMILESCN1C(C)(C)CC(Oc2ccc3cc(OCc4ccccc4)ccc3n2)CC1(C)C.Cl
InChIInChI=1S/C26H32N2O2.ClH/c1-25(2)16-22(17-26(3,4)28(25)5)30-24-14-11-20-15-21(12-13-23(20)27-24)29-18-19-9-7-6-8-10-19;/h6-15,22H,16-18H2,1-5H3;1H
InChIKeyKRLIQHBSLIVMBI-UHFFFAOYSA-N
MW441.02 g/mol
LogP6.27
Rot. Bonds5

About 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-6-phenylmethoxyquinoline;hydrochloride

2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-6-phenylmethoxyquinoline;hydrochloride (PubChem CID 67072975) has the molecular formula C26H33ClN2O2 and a molecular weight of 441.02 g/mol. Its IUPAC name is 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-6-phenylmethoxyquinoline;hydrochloride.

Molecular Properties

Compound Name2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-6-phenylmethoxyquinoline;hydrochloride
PubChem CID67072975
Molecular FormulaC26H33ClN2O2
Molecular Weight441.02 g/mol
Exact Mass440.22
IUPAC Name2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-6-phenylmethoxyquinoline;hydrochloride
SMILESCN1C(C)(C)CC(Oc2ccc3cc(OCc4ccccc4)ccc3n2)CC1(C)C.Cl
InChIInChI=1S/C26H32N2O2.ClH/c1-25(2)16-22(17-26(3,4)28(25)5)30-24-14-11-20-15-21(12-13-23(20)27-24)29-18-19-9-7-6-8-10-19;/h6-15,22H,16-18H2,1-5H3;1H
InChIKeyKRLIQHBSLIVMBI-UHFFFAOYSA-N
XLogP6.27
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.02
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-6-phenylmethoxyquinoline;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-6-phenylmethoxyquinoline;hydrochloride?
The IUPAC name of 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-6-phenylmethoxyquinoline;hydrochloride (CID 67072975) is 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-6-phenylmethoxyquinoline;hydrochloride.
What is the SMILES notation for 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-6-phenylmethoxyquinoline;hydrochloride?
The canonical SMILES for 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-6-phenylmethoxyquinoline;hydrochloride is CN1C(C)(C)CC(Oc2ccc3cc(OCc4ccccc4)ccc3n2)CC1(C)C.Cl.
What is the InChIKey of 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-6-phenylmethoxyquinoline;hydrochloride?
The InChIKey is KRLIQHBSLIVMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O2.ClH/c1-25(2)16-22(17-26(3,4)28(25)5)30-24-14-11-20-15-21(12-13-23(20)27-24)29-18-19-9-7-6-8-10-19;/h6-15,22H,16-18H2,1-5H3;1H.
What are the key properties of 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-6-phenylmethoxyquinoline;hydrochloride?
2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-6-phenylmethoxyquinoline;hydrochloride has a molecular weight of 441.02 g/mol, XLogP of 6.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-6-phenylmethoxyquinoline;hydrochloride is sourced from PubChem (CID 67072975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).