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

C24H22ClN5O — CID 4670949

IUPAC5-chloro-7-[pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol
SMILESOc1c(C(c2ccccn2)N2CCN(c3ccccn3)CC2)cc(Cl)c2cccnc12
InChIInChI=1S/C24H22ClN5O/c25-19-16-18(24(31)22-17(19)6-5-11-28-22)23(20-7-1-3-9-26-20)30-14-12-29(13-15-30)21-8-2-4-10-27-21/h1-11,16,23,31H,12-15H2
InChIKeyIDQVGMPCYJZAHV-UHFFFAOYSA-N
MW431.93 g/mol
LogP4.30
Rot. Bonds4

About 5-chloro-7-[pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol

5-chloro-7-[pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol (PubChem CID 4670949) has the molecular formula C24H22ClN5O and a molecular weight of 431.93 g/mol. Its IUPAC name is 5-chloro-7-[pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-chloro-7-[pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol
PubChem CID4670949
Molecular FormulaC24H22ClN5O
Molecular Weight431.93 g/mol
Exact Mass431.15
IUPAC Name5-chloro-7-[pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol
SMILESOc1c(C(c2ccccn2)N2CCN(c3ccccn3)CC2)cc(Cl)c2cccnc12
InChIInChI=1S/C24H22ClN5O/c25-19-16-18(24(31)22-17(19)6-5-11-28-22)23(20-7-1-3-9-26-20)30-14-12-29(13-15-30)21-8-2-4-10-27-21/h1-11,16,23,31H,12-15H2
InChIKeyIDQVGMPCYJZAHV-UHFFFAOYSA-N
XLogP4.30
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.93
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-chloro-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

Related Compounds

5-chloro-7-[pyridin-2-yl(pyrrolidin-1-yl)methyl]quinolin-8-ol
CID 4131766
7-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-pyridin-2-ylmethyl]-5-chloroquinolin-8-ol
CID 171148373
5-chloro-7-[(2,4-dichlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]quinolin-8-ol
CID 4220074
7-[(4-bromophenyl)-pyrrolidin-1-ylmethyl]-5-chloroquinolin-8-ol
CID 5185434
5-chloro-7-[(S)-(4-chlorophenyl)-morpholin-4-ylmethyl]quinolin-8-ol
CID 1181700
5-chloro-7-[(S)-(4-ethylpiperazine-1,4-diium-1-yl)-pyridin-2-ylmethyl]quinolin-8-ol
CID 7762088
7-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethyl]quinolin-8-ol
CID 28721808
3-chloro-1-(5-chloro-8-hydroxyquinolin-7-yl)propane-1,2-diol
CID 171863193
N-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-2-ylmethyl]butanamide
CID 164865703
5-chloro-7-pentan-3-ylquinolin-8-ol
CID 91402893
5,7-dichloroquinolin-8-ol;nickel
CID 175096460
4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-2-one
CID 54692667

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-[pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol?
The IUPAC name of 5-chloro-7-[pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol (CID 4670949) is 5-chloro-7-[pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol.
What is the SMILES notation for 5-chloro-7-[pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol?
The canonical SMILES for 5-chloro-7-[pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol is Oc1c(C(c2ccccn2)N2CCN(c3ccccn3)CC2)cc(Cl)c2cccnc12.
What is the InChIKey of 5-chloro-7-[pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol?
The InChIKey is IDQVGMPCYJZAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O/c25-19-16-18(24(31)22-17(19)6-5-11-28-22)23(20-7-1-3-9-26-20)30-14-12-29(13-15-30)21-8-2-4-10-27-21/h1-11,16,23,31H,12-15H2.
What are the key properties of 5-chloro-7-[pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol?
5-chloro-7-[pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol has a molecular weight of 431.93 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-[pyridin-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol is sourced from PubChem (CID 4670949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).