4-(4-benzylpiperazin-1-yl)-7-chloroquinoline

C20H20ClN3 — CID 9114059

IUPAC4-(4-benzylpiperazin-1-yl)-7-chloroquinoline
SMILESClc1ccc2c(N3CCN(Cc4ccccc4)CC3)ccnc2c1
InChIInChI=1S/C20H20ClN3/c21-17-6-7-18-19(14-17)22-9-8-20(18)24-12-10-23(11-13-24)15-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2
InChIKeyRELYQDMDJWGZNA-UHFFFAOYSA-N
MW337.85 g/mol
LogP4.21
Rot. Bonds3

About 4-(4-benzylpiperazin-1-yl)-7-chloroquinoline

4-(4-benzylpiperazin-1-yl)-7-chloroquinoline (PubChem CID 9114059) has the molecular formula C20H20ClN3 and a molecular weight of 337.85 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-7-chloroquinoline.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-7-chloroquinoline
PubChem CID9114059
Molecular FormulaC20H20ClN3
Molecular Weight337.85 g/mol
Exact Mass337.13
IUPAC Name4-(4-benzylpiperazin-1-yl)-7-chloroquinoline
SMILESClc1ccc2c(N3CCN(Cc4ccccc4)CC3)ccnc2c1
InChIInChI=1S/C20H20ClN3/c21-17-6-7-18-19(14-17)22-9-8-20(18)24-12-10-23(11-13-24)15-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2
InChIKeyRELYQDMDJWGZNA-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)-6-chloroquinoline
CID 43840532
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
1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-2-ol
CID 171975814
7-chloro-4-[4-(3-piperazin-1-ylpropyl)piperazin-1-yl]quinoline
CID 125340732
7-chloro-4-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]quinoline;sulfuric acid
CID 53353641
7-chloro-4-[4-(2-nitrophenyl)piperazin-1-yl]quinoline
CID 26452830
3-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]-5-pyridin-3-yl-1,2,4-oxadiazole
CID 146279340
[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 57389219
N-benzyl-1-(7-chloroquinolin-4-yl)-N-(pyridin-4-ylmethyl)piperidin-4-amine;N,N-dibenzyl-2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethanamine
CID 157166603
7-chloro-4-(4-pentan-3-ylpiperazin-1-yl)quinoline;hydrochloride
CID 68858916
2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]-N-(2-methylphenyl)acetamide
CID 155927698
4-[4,8-bis(7-chloroquinolin-4-yl)-1,4,8,11-tetrazacyclotetradec-1-yl]-7-chloroquinoline
CID 10747137

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-7-chloroquinoline?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-7-chloroquinoline (CID 9114059) is 4-(4-benzylpiperazin-1-yl)-7-chloroquinoline.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-7-chloroquinoline?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-7-chloroquinoline is Clc1ccc2c(N3CCN(Cc4ccccc4)CC3)ccnc2c1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-7-chloroquinoline?
The InChIKey is RELYQDMDJWGZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3/c21-17-6-7-18-19(14-17)22-9-8-20(18)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)-7-chloroquinoline?
4-(4-benzylpiperazin-1-yl)-7-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)-7-chloroquinoline is sourced from PubChem (CID 9114059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).