7-(morpholin-4-ylmethyl)-5-(phenylmethoxymethyl)quinolin-8-ol

C22H24N2O3 — CID 3242810

IUPAC7-(morpholin-4-ylmethyl)-5-(phenylmethoxymethyl)quinolin-8-ol
SMILESOc1c(CN2CCOCC2)cc(COCc2ccccc2)c2cccnc12
InChIInChI=1S/C22H24N2O3/c25-22-18(14-24-9-11-26-12-10-24)13-19(20-7-4-8-23-21(20)22)16-27-15-17-5-2-1-3-6-17/h1-8,13,25H,9-12,14-16H2
InChIKeyZPJRWICTQQZYDM-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.49
Rot. Bonds6

About 7-(morpholin-4-ylmethyl)-5-(phenylmethoxymethyl)quinolin-8-ol

7-(morpholin-4-ylmethyl)-5-(phenylmethoxymethyl)quinolin-8-ol (PubChem CID 3242810) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 7-(morpholin-4-ylmethyl)-5-(phenylmethoxymethyl)quinolin-8-ol.

Molecular Properties

Compound Name7-(morpholin-4-ylmethyl)-5-(phenylmethoxymethyl)quinolin-8-ol
PubChem CID3242810
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name7-(morpholin-4-ylmethyl)-5-(phenylmethoxymethyl)quinolin-8-ol
SMILESOc1c(CN2CCOCC2)cc(COCc2ccccc2)c2cccnc12
InChIInChI=1S/C22H24N2O3/c25-22-18(14-24-9-11-26-12-10-24)13-19(20-7-4-8-23-21(20)22)16-27-15-17-5-2-1-3-6-17/h1-8,13,25H,9-12,14-16H2
InChIKeyZPJRWICTQQZYDM-UHFFFAOYSA-N
XLogP3.49
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 7-(morpholin-4-ylmethyl)-5-(phenylmethoxymethyl)quinolin-8-ol?
The IUPAC name of 7-(morpholin-4-ylmethyl)-5-(phenylmethoxymethyl)quinolin-8-ol (CID 3242810) is 7-(morpholin-4-ylmethyl)-5-(phenylmethoxymethyl)quinolin-8-ol.
What is the SMILES notation for 7-(morpholin-4-ylmethyl)-5-(phenylmethoxymethyl)quinolin-8-ol?
The canonical SMILES for 7-(morpholin-4-ylmethyl)-5-(phenylmethoxymethyl)quinolin-8-ol is Oc1c(CN2CCOCC2)cc(COCc2ccccc2)c2cccnc12.
What is the InChIKey of 7-(morpholin-4-ylmethyl)-5-(phenylmethoxymethyl)quinolin-8-ol?
The InChIKey is ZPJRWICTQQZYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c25-22-18(14-24-9-11-26-12-10-24)13-19(20-7-4-8-23-21(20)22)16-27-15-17-5-2-1-3-6-17/h1-8,13,25H,9-12,14-16H2.
What are the key properties of 7-(morpholin-4-ylmethyl)-5-(phenylmethoxymethyl)quinolin-8-ol?
7-(morpholin-4-ylmethyl)-5-(phenylmethoxymethyl)quinolin-8-ol has a molecular weight of 364.45 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(morpholin-4-ylmethyl)-5-(phenylmethoxymethyl)quinolin-8-ol is sourced from PubChem (CID 3242810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).