4-(4-benzylpiperazin-1-yl)-6-chloroquinoline

C20H20ClN3 — CID 43840532

IUPAC4-(4-benzylpiperazin-1-yl)-6-chloroquinoline
SMILESClc1ccc2nccc(N3CCN(Cc4ccccc4)CC3)c2c1
InChIInChI=1S/C20H20ClN3/c21-17-6-7-19-18(14-17)20(8-9-22-19)24-12-10-23(11-13-24)15-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2
InChIKeyHFBHCVFIXOEDQC-UHFFFAOYSA-N
MW337.85 g/mol
LogP4.21
Rot. Bonds3

About 4-(4-benzylpiperazin-1-yl)-6-chloroquinoline

4-(4-benzylpiperazin-1-yl)-6-chloroquinoline (PubChem CID 43840532) has the molecular formula C20H20ClN3 and a molecular weight of 337.85 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-6-chloroquinoline.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-6-chloroquinoline
PubChem CID43840532
Molecular FormulaC20H20ClN3
Molecular Weight337.85 g/mol
Exact Mass337.13
IUPAC Name4-(4-benzylpiperazin-1-yl)-6-chloroquinoline
SMILESClc1ccc2nccc(N3CCN(Cc4ccccc4)CC3)c2c1
InChIInChI=1S/C20H20ClN3/c21-17-6-7-19-18(14-17)20(8-9-22-19)24-12-10-23(11-13-24)15-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2
InChIKeyHFBHCVFIXOEDQC-UHFFFAOYSA-N
XLogP4.21
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-benzylpiperazin-1-yl)-7-chloroquinoline
CID 9114059
4-(azepan-1-yl)-6-chloroquinoline
CID 110434360
6-chloro-4-(4-propyl-1,4-diazepan-1-yl)quinoline
CID 133342671
methyl 2-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]acetate
CID 133333942
1-(6-chloroquinolin-4-yl)piperidine-4-carboxylic acid
CID 71563708
7-chloro-4-[4-[3-[4-[3-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]quinoline
CID 11840452
4-(4-benzylpiperazin-1-yl)-7,8-dimethylquinoline
CID 43840526
5-[[4-(6-chloroquinolin-4-yl)-1,4-diazepan-1-yl]methyl]-3-(1-methoxyethyl)-1,2,4-oxadiazole
CID 133337609
2-(4-quinolin-4-ylpiperazin-1-yl)ethanamine
CID 61340442
2-[(4-benzylpiperazin-1-yl)methyl]-6-chloro-1H-benzimidazole
CID 134084457
1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-2-ol
CID 171975814
1-[(3-chlorophenyl)methyl]-4-(3-chloro-4-pyridinyl)piperazine
CID 133358248

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-6-chloroquinoline?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-6-chloroquinoline (CID 43840532) is 4-(4-benzylpiperazin-1-yl)-6-chloroquinoline.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-6-chloroquinoline?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-6-chloroquinoline is Clc1ccc2nccc(N3CCN(Cc4ccccc4)CC3)c2c1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-6-chloroquinoline?
The InChIKey is HFBHCVFIXOEDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3/c21-17-6-7-19-18(14-17)20(8-9-22-19)24-12-10-23(11-13-24)15-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2.
What are the key properties of 4-(4-benzylpiperazin-1-yl)-6-chloroquinoline?
4-(4-benzylpiperazin-1-yl)-6-chloroquinoline has a molecular weight of 337.85 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-6-chloroquinoline is sourced from PubChem (CID 43840532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).