7-[[4-[(8-hydroxyquinolin-7-yl)methyl]piperazin-1-yl]methyl]quinolin-8-ol

C24H24N4O2 — CID 1351544

IUPAC7-[[4-[(8-hydroxyquinolin-7-yl)methyl]piperazin-1-yl]methyl]quinolin-8-ol
SMILESOc1c(CN2CCN(Cc3ccc4cccnc4c3O)CC2)ccc2cccnc12
InChIInChI=1S/C24H24N4O2/c29-23-19(7-5-17-3-1-9-25-21(17)23)15-27-11-13-28(14-12-27)16-20-8-6-18-4-2-10-26-22(18)24(20)30/h1-10,29-30H,11-16H2
InChIKeyLOSGJNZYKIXCBE-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.51
Rot. Bonds4

About 7-[[4-[(8-hydroxyquinolin-7-yl)methyl]piperazin-1-yl]methyl]quinolin-8-ol

7-[[4-[(8-hydroxyquinolin-7-yl)methyl]piperazin-1-yl]methyl]quinolin-8-ol (PubChem CID 1351544) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 7-[[4-[(8-hydroxyquinolin-7-yl)methyl]piperazin-1-yl]methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[[4-[(8-hydroxyquinolin-7-yl)methyl]piperazin-1-yl]methyl]quinolin-8-ol
PubChem CID1351544
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name7-[[4-[(8-hydroxyquinolin-7-yl)methyl]piperazin-1-yl]methyl]quinolin-8-ol
SMILESOc1c(CN2CCN(Cc3ccc4cccnc4c3O)CC2)ccc2cccnc12
InChIInChI=1S/C24H24N4O2/c29-23-19(7-5-17-3-1-9-25-21(17)23)15-27-11-13-28(14-12-27)16-20-8-6-18-4-2-10-26-22(18)24(20)30/h1-10,29-30H,11-16H2
InChIKeyLOSGJNZYKIXCBE-UHFFFAOYSA-N
XLogP3.51
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.51
H-Bond Donors ≤ 52
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-[[4-[(8-hydroxyquinolin-7-yl)methyl]piperazin-1-yl]methyl]quinolin-8-ol?
The IUPAC name of 7-[[4-[(8-hydroxyquinolin-7-yl)methyl]piperazin-1-yl]methyl]quinolin-8-ol (CID 1351544) is 7-[[4-[(8-hydroxyquinolin-7-yl)methyl]piperazin-1-yl]methyl]quinolin-8-ol.
What is the SMILES notation for 7-[[4-[(8-hydroxyquinolin-7-yl)methyl]piperazin-1-yl]methyl]quinolin-8-ol?
The canonical SMILES for 7-[[4-[(8-hydroxyquinolin-7-yl)methyl]piperazin-1-yl]methyl]quinolin-8-ol is Oc1c(CN2CCN(Cc3ccc4cccnc4c3O)CC2)ccc2cccnc12.
What is the InChIKey of 7-[[4-[(8-hydroxyquinolin-7-yl)methyl]piperazin-1-yl]methyl]quinolin-8-ol?
The InChIKey is LOSGJNZYKIXCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c29-23-19(7-5-17-3-1-9-25-21(17)23)15-27-11-13-28(14-12-27)16-20-8-6-18-4-2-10-26-22(18)24(20)30/h1-10,29-30H,11-16H2.
What are the key properties of 7-[[4-[(8-hydroxyquinolin-7-yl)methyl]piperazin-1-yl]methyl]quinolin-8-ol?
7-[[4-[(8-hydroxyquinolin-7-yl)methyl]piperazin-1-yl]methyl]quinolin-8-ol has a molecular weight of 400.48 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-[(8-hydroxyquinolin-7-yl)methyl]piperazin-1-yl]methyl]quinolin-8-ol is sourced from PubChem (CID 1351544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).