5-bromo-7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]quinolin-8-ol

C20H19BrClN3O — CID 3287143

IUPAC5-bromo-7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]quinolin-8-ol
SMILESOc1c(CN2CCN(c3cccc(Cl)c3)CC2)cc(Br)c2cccnc12
InChIInChI=1S/C20H19BrClN3O/c21-18-11-14(20(26)19-17(18)5-2-6-23-19)13-24-7-9-25(10-8-24)16-4-1-3-15(22)12-16/h1-6,11-12,26H,7-10,13H2
InChIKeySUQDEEBXXYOUST-UHFFFAOYSA-N
MW432.75 g/mol
LogP4.68
Rot. Bonds3

About 5-bromo-7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]quinolin-8-ol

5-bromo-7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]quinolin-8-ol (PubChem CID 3287143) has the molecular formula C20H19BrClN3O and a molecular weight of 432.75 g/mol. Its IUPAC name is 5-bromo-7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-bromo-7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]quinolin-8-ol
PubChem CID3287143
Molecular FormulaC20H19BrClN3O
Molecular Weight432.75 g/mol
Exact Mass431.04
IUPAC Name5-bromo-7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]quinolin-8-ol
SMILESOc1c(CN2CCN(c3cccc(Cl)c3)CC2)cc(Br)c2cccnc12
InChIInChI=1S/C20H19BrClN3O/c21-18-11-14(20(26)19-17(18)5-2-6-23-19)13-24-7-9-25(10-8-24)16-4-1-3-15(22)12-16/h1-6,11-12,26H,7-10,13H2
InChIKeySUQDEEBXXYOUST-UHFFFAOYSA-N
XLogP4.68
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.75
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-7-[(4-ethylpiperazin-1-yl)methyl]quinolin-8-ol
CID 18830094
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrimidine
CID 171909306
7-bromo-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinolin-8-ol
CID 171541814
5-chloro-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 716609
5-chloro-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol;dihydrochloride
CID 131888000
5,7-bis(piperidin-1-ylmethyl)quinolin-8-ol
CID 3470863
1-(3-chlorophenyl)-4-[(2-chloro-4-pyridinyl)methyl]piperazine
CID 62047060
7-[[4-[(1-hydroxynaphthalen-2-yl)methyl]piperazin-1-yl]methyl]quinolin-8-ol
CID 176719632
2-[4-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 78333510
7-bromo-8-methyl-5-[(3-phenylimidazolidin-1-yl)methyl]quinoline
CID 174246213
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol
CID 1377032
1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]naphthalen-2-ol
CID 2845612

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]quinolin-8-ol?
The IUPAC name of 5-bromo-7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]quinolin-8-ol (CID 3287143) is 5-bromo-7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]quinolin-8-ol.
What is the SMILES notation for 5-bromo-7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]quinolin-8-ol?
The canonical SMILES for 5-bromo-7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]quinolin-8-ol is Oc1c(CN2CCN(c3cccc(Cl)c3)CC2)cc(Br)c2cccnc12.
What is the InChIKey of 5-bromo-7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]quinolin-8-ol?
The InChIKey is SUQDEEBXXYOUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrClN3O/c21-18-11-14(20(26)19-17(18)5-2-6-23-19)13-24-7-9-25(10-8-24)16-4-1-3-15(22)12-16/h1-6,11-12,26H,7-10,13H2.
What are the key properties of 5-bromo-7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]quinolin-8-ol?
5-bromo-7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]quinolin-8-ol has a molecular weight of 432.75 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]quinolin-8-ol is sourced from PubChem (CID 3287143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).