5-chloro-7-[(2,4-dichlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]quinolin-8-ol

C26H21Cl3FN3O — CID 4220074

IUPAC5-chloro-7-[(2,4-dichlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]quinolin-8-ol
SMILESOc1c(C(c2ccc(Cl)cc2Cl)N2CCN(c3ccc(F)cc3)CC2)cc(Cl)c2cccnc12
InChIInChI=1S/C26H21Cl3FN3O/c27-16-3-8-20(22(28)14-16)25(21-15-23(29)19-2-1-9-31-24(19)26(21)34)33-12-10-32(11-13-33)18-6-4-17(30)5-7-18/h1-9,14-15,25,34H,10-13H2
InChIKeyJVWTZGXMKBGVSH-UHFFFAOYSA-N
MW516.83 g/mol
LogP6.95
Rot. Bonds4

About 5-chloro-7-[(2,4-dichlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]quinolin-8-ol

5-chloro-7-[(2,4-dichlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]quinolin-8-ol (PubChem CID 4220074) has the molecular formula C26H21Cl3FN3O and a molecular weight of 516.83 g/mol. Its IUPAC name is 5-chloro-7-[(2,4-dichlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-chloro-7-[(2,4-dichlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]quinolin-8-ol
PubChem CID4220074
Molecular FormulaC26H21Cl3FN3O
Molecular Weight516.83 g/mol
Exact Mass515.07
IUPAC Name5-chloro-7-[(2,4-dichlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]quinolin-8-ol
SMILESOc1c(C(c2ccc(Cl)cc2Cl)N2CCN(c3ccc(F)cc3)CC2)cc(Cl)c2cccnc12
InChIInChI=1S/C26H21Cl3FN3O/c27-16-3-8-20(22(28)14-16)25(21-15-23(29)19-2-1-9-31-24(19)26(21)34)33-12-10-32(11-13-33)18-6-4-17(30)5-7-18/h1-9,14-15,25,34H,10-13H2
InChIKeyJVWTZGXMKBGVSH-UHFFFAOYSA-N
XLogP6.95
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.83
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-chloro-7-[(2,4-dichlorophenyl)-[4-(4-fluorophenyl)piperazin-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-(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol
CID 4670949
5-chloro-7-[(S)-(4-chlorophenyl)-morpholin-4-ylmethyl]quinolin-8-ol
CID 1181700
7-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethyl]quinolin-8-ol
CID 28721808
5-chloro-7-[pyridin-2-yl(pyrrolidin-1-yl)methyl]quinolin-8-ol
CID 4131766
7-[(4-bromophenyl)-pyrrolidin-1-ylmethyl]-5-chloroquinolin-8-ol
CID 5185434
zinc 5-chloro-7-(18F)fluoroquinolin-8-ol
CID 10378005
4-[(2,4-dichlorophenyl)-piperazin-1-ylmethyl]quinoline
CID 4209519
5-chloro-7-[(S)-(4-chlorophenyl)-morpholin-4-ium-4-ylmethyl]quinolin-8-ol
CID 6972928
7-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-pyridin-2-ylmethyl]-5-chloroquinolin-8-ol
CID 171148373
5-chloro-7-pentan-3-ylquinolin-8-ol
CID 91402893
(2-chloro-5-fluorophenyl)-(5-chloroquinolin-8-yl)methanol
CID 105394021
1-[bis(2,4-dichlorophenyl)methyl]piperazine
CID 3373425

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-[(2,4-dichlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]quinolin-8-ol?
The IUPAC name of 5-chloro-7-[(2,4-dichlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]quinolin-8-ol (CID 4220074) is 5-chloro-7-[(2,4-dichlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]quinolin-8-ol.
What is the SMILES notation for 5-chloro-7-[(2,4-dichlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]quinolin-8-ol?
The canonical SMILES for 5-chloro-7-[(2,4-dichlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]quinolin-8-ol is Oc1c(C(c2ccc(Cl)cc2Cl)N2CCN(c3ccc(F)cc3)CC2)cc(Cl)c2cccnc12.
What is the InChIKey of 5-chloro-7-[(2,4-dichlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]quinolin-8-ol?
The InChIKey is JVWTZGXMKBGVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21Cl3FN3O/c27-16-3-8-20(22(28)14-16)25(21-15-23(29)19-2-1-9-31-24(19)26(21)34)33-12-10-32(11-13-33)18-6-4-17(30)5-7-18/h1-9,14-15,25,34H,10-13H2.
What are the key properties of 5-chloro-7-[(2,4-dichlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]quinolin-8-ol?
5-chloro-7-[(2,4-dichlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]quinolin-8-ol has a molecular weight of 516.83 g/mol, XLogP of 6.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-[(2,4-dichlorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]quinolin-8-ol is sourced from PubChem (CID 4220074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).