1-[2-(4-chlorophenoxy)-6,8-dimethylquinolin-4-yl]-2-piperidin-2-ylethanol

C24H27ClN2O2 — CID 90669172

IUPAC1-[2-(4-chlorophenoxy)-6,8-dimethylquinolin-4-yl]-2-piperidin-2-ylethanol
SMILESCc1cc(C)c2nc(Oc3ccc(Cl)cc3)cc(C(O)CC3CCCCN3)c2c1
InChIInChI=1S/C24H27ClN2O2/c1-15-11-16(2)24-21(12-15)20(22(28)13-18-5-3-4-10-26-18)14-23(27-24)29-19-8-6-17(25)7-9-19/h6-9,11-12,14,18,22,26,28H,3-5,10,13H2,1-2H3
InChIKeyHMFTTZWNNVQUJV-UHFFFAOYSA-N
MW410.95 g/mol
LogP5.86
Rot. Bonds5

About 1-[2-(4-chlorophenoxy)-6,8-dimethylquinolin-4-yl]-2-piperidin-2-ylethanol

1-[2-(4-chlorophenoxy)-6,8-dimethylquinolin-4-yl]-2-piperidin-2-ylethanol (PubChem CID 90669172) has the molecular formula C24H27ClN2O2 and a molecular weight of 410.95 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)-6,8-dimethylquinolin-4-yl]-2-piperidin-2-ylethanol.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)-6,8-dimethylquinolin-4-yl]-2-piperidin-2-ylethanol
PubChem CID90669172
Molecular FormulaC24H27ClN2O2
Molecular Weight410.95 g/mol
Exact Mass410.18
IUPAC Name1-[2-(4-chlorophenoxy)-6,8-dimethylquinolin-4-yl]-2-piperidin-2-ylethanol
SMILESCc1cc(C)c2nc(Oc3ccc(Cl)cc3)cc(C(O)CC3CCCCN3)c2c1
InChIInChI=1S/C24H27ClN2O2/c1-15-11-16(2)24-21(12-15)20(22(28)13-18-5-3-4-10-26-18)14-23(27-24)29-19-8-6-17(25)7-9-19/h6-9,11-12,14,18,22,26,28H,3-5,10,13H2,1-2H3
InChIKeyHMFTTZWNNVQUJV-UHFFFAOYSA-N
XLogP5.86
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.95
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)-6,8-dimethylquinolin-4-yl]-2-piperidin-2-ylethanol?
The IUPAC name of 1-[2-(4-chlorophenoxy)-6,8-dimethylquinolin-4-yl]-2-piperidin-2-ylethanol (CID 90669172) is 1-[2-(4-chlorophenoxy)-6,8-dimethylquinolin-4-yl]-2-piperidin-2-ylethanol.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)-6,8-dimethylquinolin-4-yl]-2-piperidin-2-ylethanol?
The canonical SMILES for 1-[2-(4-chlorophenoxy)-6,8-dimethylquinolin-4-yl]-2-piperidin-2-ylethanol is Cc1cc(C)c2nc(Oc3ccc(Cl)cc3)cc(C(O)CC3CCCCN3)c2c1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)-6,8-dimethylquinolin-4-yl]-2-piperidin-2-ylethanol?
The InChIKey is HMFTTZWNNVQUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O2/c1-15-11-16(2)24-21(12-15)20(22(28)13-18-5-3-4-10-26-18)14-23(27-24)29-19-8-6-17(25)7-9-19/h6-9,11-12,14,18,22,26,28H,3-5,10,13H2,1-2H3.
What are the key properties of 1-[2-(4-chlorophenoxy)-6,8-dimethylquinolin-4-yl]-2-piperidin-2-ylethanol?
1-[2-(4-chlorophenoxy)-6,8-dimethylquinolin-4-yl]-2-piperidin-2-ylethanol has a molecular weight of 410.95 g/mol, XLogP of 5.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)-6,8-dimethylquinolin-4-yl]-2-piperidin-2-ylethanol is sourced from PubChem (CID 90669172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).