7-[(1-benzylimidazol-2-yl)-morpholin-4-ylmethyl]quinolin-8-ol

C24H24N4O2 — CID 51352691

IUPAC7-[(1-benzylimidazol-2-yl)-morpholin-4-ylmethyl]quinolin-8-ol
SMILESOc1c(C(c2nccn2Cc2ccccc2)N2CCOCC2)ccc2cccnc12
InChIInChI=1S/C24H24N4O2/c29-23-20(9-8-19-7-4-10-25-21(19)23)22(27-13-15-30-16-14-27)24-26-11-12-28(24)17-18-5-2-1-3-6-18/h1-12,22,29H,13-17H2
InChIKeyXWLSXECKVMROSP-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.61
Rot. Bonds5

About 7-[(1-benzylimidazol-2-yl)-morpholin-4-ylmethyl]quinolin-8-ol

7-[(1-benzylimidazol-2-yl)-morpholin-4-ylmethyl]quinolin-8-ol (PubChem CID 51352691) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 7-[(1-benzylimidazol-2-yl)-morpholin-4-ylmethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(1-benzylimidazol-2-yl)-morpholin-4-ylmethyl]quinolin-8-ol
PubChem CID51352691
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name7-[(1-benzylimidazol-2-yl)-morpholin-4-ylmethyl]quinolin-8-ol
SMILESOc1c(C(c2nccn2Cc2ccccc2)N2CCOCC2)ccc2cccnc12
InChIInChI=1S/C24H24N4O2/c29-23-20(9-8-19-7-4-10-25-21(19)23)22(27-13-15-30-16-14-27)24-26-11-12-28(24)17-18-5-2-1-3-6-18/h1-12,22,29H,13-17H2
InChIKeyXWLSXECKVMROSP-UHFFFAOYSA-N
XLogP3.61
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(1-benzylimidazol-2-yl)-morpholin-4-ylmethyl]quinolin-8-ol?
The IUPAC name of 7-[(1-benzylimidazol-2-yl)-morpholin-4-ylmethyl]quinolin-8-ol (CID 51352691) is 7-[(1-benzylimidazol-2-yl)-morpholin-4-ylmethyl]quinolin-8-ol.
What is the SMILES notation for 7-[(1-benzylimidazol-2-yl)-morpholin-4-ylmethyl]quinolin-8-ol?
The canonical SMILES for 7-[(1-benzylimidazol-2-yl)-morpholin-4-ylmethyl]quinolin-8-ol is Oc1c(C(c2nccn2Cc2ccccc2)N2CCOCC2)ccc2cccnc12.
What is the InChIKey of 7-[(1-benzylimidazol-2-yl)-morpholin-4-ylmethyl]quinolin-8-ol?
The InChIKey is XWLSXECKVMROSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c29-23-20(9-8-19-7-4-10-25-21(19)23)22(27-13-15-30-16-14-27)24-26-11-12-28(24)17-18-5-2-1-3-6-18/h1-12,22,29H,13-17H2.
What are the key properties of 7-[(1-benzylimidazol-2-yl)-morpholin-4-ylmethyl]quinolin-8-ol?
7-[(1-benzylimidazol-2-yl)-morpholin-4-ylmethyl]quinolin-8-ol has a molecular weight of 400.48 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-benzylimidazol-2-yl)-morpholin-4-ylmethyl]quinolin-8-ol is sourced from PubChem (CID 51352691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).