1-[2-(4-methoxyphenyl)-8-methylquinolin-4-yl]-2-piperidin-2-ylethanol

C24H28N2O2 — CID 90669084

IUPAC1-[2-(4-methoxyphenyl)-8-methylquinolin-4-yl]-2-piperidin-2-ylethanol
SMILESCOc1ccc(-c2cc(C(O)CC3CCCCN3)c3cccc(C)c3n2)cc1
InChIInChI=1S/C24H28N2O2/c1-16-6-5-8-20-21(23(27)14-18-7-3-4-13-25-18)15-22(26-24(16)20)17-9-11-19(28-2)12-10-17/h5-6,8-12,15,18,23,25,27H,3-4,7,13-14H2,1-2H3
InChIKeyBLUZCVZELIAGDX-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.78
Rot. Bonds5

About 1-[2-(4-methoxyphenyl)-8-methylquinolin-4-yl]-2-piperidin-2-ylethanol

1-[2-(4-methoxyphenyl)-8-methylquinolin-4-yl]-2-piperidin-2-ylethanol (PubChem CID 90669084) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)-8-methylquinolin-4-yl]-2-piperidin-2-ylethanol.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)-8-methylquinolin-4-yl]-2-piperidin-2-ylethanol
PubChem CID90669084
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name1-[2-(4-methoxyphenyl)-8-methylquinolin-4-yl]-2-piperidin-2-ylethanol
SMILESCOc1ccc(-c2cc(C(O)CC3CCCCN3)c3cccc(C)c3n2)cc1
InChIInChI=1S/C24H28N2O2/c1-16-6-5-8-20-21(23(27)14-18-7-3-4-13-25-18)15-22(26-24(16)20)17-9-11-19(28-2)12-10-17/h5-6,8-12,15,18,23,25,27H,3-4,7,13-14H2,1-2H3
InChIKeyBLUZCVZELIAGDX-UHFFFAOYSA-N
XLogP4.78
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)-8-methylquinolin-4-yl]-2-piperidin-2-ylethanol?
The IUPAC name of 1-[2-(4-methoxyphenyl)-8-methylquinolin-4-yl]-2-piperidin-2-ylethanol (CID 90669084) is 1-[2-(4-methoxyphenyl)-8-methylquinolin-4-yl]-2-piperidin-2-ylethanol.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)-8-methylquinolin-4-yl]-2-piperidin-2-ylethanol?
The canonical SMILES for 1-[2-(4-methoxyphenyl)-8-methylquinolin-4-yl]-2-piperidin-2-ylethanol is COc1ccc(-c2cc(C(O)CC3CCCCN3)c3cccc(C)c3n2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)-8-methylquinolin-4-yl]-2-piperidin-2-ylethanol?
The InChIKey is BLUZCVZELIAGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-16-6-5-8-20-21(23(27)14-18-7-3-4-13-25-18)15-22(26-24(16)20)17-9-11-19(28-2)12-10-17/h5-6,8-12,15,18,23,25,27H,3-4,7,13-14H2,1-2H3.
What are the key properties of 1-[2-(4-methoxyphenyl)-8-methylquinolin-4-yl]-2-piperidin-2-ylethanol?
1-[2-(4-methoxyphenyl)-8-methylquinolin-4-yl]-2-piperidin-2-ylethanol has a molecular weight of 376.50 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)-8-methylquinolin-4-yl]-2-piperidin-2-ylethanol is sourced from PubChem (CID 90669084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).