5-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline

C19H24ClN3 — CID 55852938

IUPAC5-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline
SMILESClc1ccc(CN2CCN(C3CCCC3)CC2)c2ncccc12
InChIInChI=1S/C19H24ClN3/c20-18-8-7-15(19-17(18)6-3-9-21-19)14-22-10-12-23(13-11-22)16-4-1-2-5-16/h3,6-9,16H,1-2,4-5,10-14H2
InChIKeyZIHXAOCLKYKAEG-UHFFFAOYSA-N
MW329.87 g/mol
LogP3.95
Rot. Bonds3

About 5-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline

5-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline (PubChem CID 55852938) has the molecular formula C19H24ClN3 and a molecular weight of 329.87 g/mol. Its IUPAC name is 5-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline.

Molecular Properties

Compound Name5-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline
PubChem CID55852938
Molecular FormulaC19H24ClN3
Molecular Weight329.87 g/mol
Exact Mass329.17
IUPAC Name5-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline
SMILESClc1ccc(CN2CCN(C3CCCC3)CC2)c2ncccc12
InChIInChI=1S/C19H24ClN3/c20-18-8-7-15(19-17(18)6-3-9-21-19)14-22-10-12-23(13-11-22)16-4-1-2-5-16/h3,6-9,16H,1-2,4-5,10-14H2
InChIKeyZIHXAOCLKYKAEG-UHFFFAOYSA-N
XLogP3.95
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.87
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-cyclopentylpiperazin-1-yl)methyl]quinolin-8-ol
CID 171541808
7-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline
CID 55852939
5-chloro-8-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline
CID 87016276
2-[4-[(5-chloroquinolin-8-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 55827715
2-[1-[(5-chloroquinolin-8-yl)methyl]azepan-4-yl]acetic acid
CID 120953605
3-[(4-cyclopentylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
CID 62920093
1-[(5-chloroquinolin-8-yl)methyl]-4-methylpiperidin-3-amine
CID 115959704
1-[1-[(5-chloroquinolin-8-yl)methyl]piperidin-3-yl]ethanamine
CID 115741490
8-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-5-chloroquinoline;hydrochloride
CID 120661005
3-[1-[(5-chloroquinolin-8-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 60504562
2-[(5-fluoroquinolin-8-yl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49234559
N-[(5-chloroquinolin-8-yl)methyl]-2-methylcyclohexan-1-amine
CID 115958999

Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline?
The IUPAC name of 5-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline (CID 55852938) is 5-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline.
What is the SMILES notation for 5-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline?
The canonical SMILES for 5-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline is Clc1ccc(CN2CCN(C3CCCC3)CC2)c2ncccc12.
What is the InChIKey of 5-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline?
The InChIKey is ZIHXAOCLKYKAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3/c20-18-8-7-15(19-17(18)6-3-9-21-19)14-22-10-12-23(13-11-22)16-4-1-2-5-16/h3,6-9,16H,1-2,4-5,10-14H2.
What are the key properties of 5-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline?
5-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline has a molecular weight of 329.87 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline is sourced from PubChem (CID 55852938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).