7-[pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol

C24H23N5O — CID 4067610

IUPAC7-[pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol
SMILESOc1c(C(c2ccccn2)N2CCN(c3ccccn3)CC2)ccc2cccnc12
InChIInChI=1S/C24H23N5O/c30-24-19(10-9-18-6-5-13-27-22(18)24)23(20-7-1-3-11-25-20)29-16-14-28(15-17-29)21-8-2-4-12-26-21/h1-13,23,30H,14-17H2
InChIKeyOZSANKKZTCLFJI-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.64
Rot. Bonds4

About 7-[pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol

7-[pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol (PubChem CID 4067610) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 7-[pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol
PubChem CID4067610
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name7-[pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol
SMILESOc1c(C(c2ccccn2)N2CCN(c3ccccn3)CC2)ccc2cccnc12
InChIInChI=1S/C24H23N5O/c30-24-19(10-9-18-6-5-13-27-22(18)24)23(20-7-1-3-11-25-20)29-16-14-28(15-17-29)21-8-2-4-12-26-21/h1-13,23,30H,14-17H2
InChIKeyOZSANKKZTCLFJI-UHFFFAOYSA-N
XLogP3.64
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-[pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol?
The IUPAC name of 7-[pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol (CID 4067610) is 7-[pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol?
The canonical SMILES for 7-[pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol is Oc1c(C(c2ccccn2)N2CCN(c3ccccn3)CC2)ccc2cccnc12.
What is the InChIKey of 7-[pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol?
The InChIKey is OZSANKKZTCLFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c30-24-19(10-9-18-6-5-13-27-22(18)24)23(20-7-1-3-11-25-20)29-16-14-28(15-17-29)21-8-2-4-12-26-21/h1-13,23,30H,14-17H2.
What are the key properties of 7-[pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol?
7-[pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol has a molecular weight of 397.48 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol is sourced from PubChem (CID 4067610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).