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

C18H24N2O2 — CID 23604739

IUPAC5-(ethoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol
SMILESCCOCc1cc(CN2CCCCC2)c(O)c2ncccc12
InChIInChI=1S/C18H24N2O2/c1-2-22-13-15-11-14(12-20-9-4-3-5-10-20)18(21)17-16(15)7-6-8-19-17/h6-8,11,21H,2-5,9-10,12-13H2,1H3
InChIKeyKUMCHJLNLJMFRJ-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.46
Rot. Bonds5

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

5-(ethoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol (PubChem CID 23604739) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 5-(ethoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol.

Molecular Properties

Compound Name5-(ethoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol
PubChem CID23604739
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name5-(ethoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol
SMILESCCOCc1cc(CN2CCCCC2)c(O)c2ncccc12
InChIInChI=1S/C18H24N2O2/c1-2-22-13-15-11-14(12-20-9-4-3-5-10-20)18(21)17-16(15)7-6-8-19-17/h6-8,11,21H,2-5,9-10,12-13H2,1H3
InChIKeyKUMCHJLNLJMFRJ-UHFFFAOYSA-N
XLogP3.46
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.46
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-(ethoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol?
The IUPAC name of 5-(ethoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol (CID 23604739) is 5-(ethoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol.
What is the SMILES notation for 5-(ethoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol?
The canonical SMILES for 5-(ethoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol is CCOCc1cc(CN2CCCCC2)c(O)c2ncccc12.
What is the InChIKey of 5-(ethoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol?
The InChIKey is KUMCHJLNLJMFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-2-22-13-15-11-14(12-20-9-4-3-5-10-20)18(21)17-16(15)7-6-8-19-17/h6-8,11,21H,2-5,9-10,12-13H2,1H3.
What are the key properties of 5-(ethoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol?
5-(ethoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol has a molecular weight of 300.40 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol is sourced from PubChem (CID 23604739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).