5-(phenylmethoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol

C23H26N2O2 — CID 3238417

IUPAC5-(phenylmethoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol
SMILESOc1c(CN2CCCCC2)cc(COCc2ccccc2)c2cccnc12
InChIInChI=1S/C23H26N2O2/c26-23-19(15-25-12-5-2-6-13-25)14-20(21-10-7-11-24-22(21)23)17-27-16-18-8-3-1-4-9-18/h1,3-4,7-11,14,26H,2,5-6,12-13,15-17H2
InChIKeyCAHUZYYLADXTHI-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.64
Rot. Bonds6

About 5-(phenylmethoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol

5-(phenylmethoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol (PubChem CID 3238417) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 5-(phenylmethoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol.

Molecular Properties

Compound Name5-(phenylmethoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol
PubChem CID3238417
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name5-(phenylmethoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol
SMILESOc1c(CN2CCCCC2)cc(COCc2ccccc2)c2cccnc12
InChIInChI=1S/C23H26N2O2/c26-23-19(15-25-12-5-2-6-13-25)14-20(21-10-7-11-24-22(21)23)17-27-16-18-8-3-1-4-9-18/h1,3-4,7-11,14,26H,2,5-6,12-13,15-17H2
InChIKeyCAHUZYYLADXTHI-UHFFFAOYSA-N
XLogP4.64
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(phenylmethoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol?
The IUPAC name of 5-(phenylmethoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol (CID 3238417) is 5-(phenylmethoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol.
What is the SMILES notation for 5-(phenylmethoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol?
The canonical SMILES for 5-(phenylmethoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol is Oc1c(CN2CCCCC2)cc(COCc2ccccc2)c2cccnc12.
What is the InChIKey of 5-(phenylmethoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol?
The InChIKey is CAHUZYYLADXTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c26-23-19(15-25-12-5-2-6-13-25)14-20(21-10-7-11-24-22(21)23)17-27-16-18-8-3-1-4-9-18/h1,3-4,7-11,14,26H,2,5-6,12-13,15-17H2.
What are the key properties of 5-(phenylmethoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol?
5-(phenylmethoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol has a molecular weight of 362.47 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenylmethoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol is sourced from PubChem (CID 3238417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).