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

C19H24ClN3 — CID 55852939

IUPAC7-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline
SMILESClc1ccc2cccnc2c1CN1CCN(C2CCCC2)CC1
InChIInChI=1S/C19H24ClN3/c20-18-8-7-15-4-3-9-21-19(15)17(18)14-22-10-12-23(13-11-22)16-5-1-2-6-16/h3-4,7-9,16H,1-2,5-6,10-14H2
InChIKeyBGRDSPWKBHYYNV-UHFFFAOYSA-N
MW329.87 g/mol
LogP3.95
Rot. Bonds3

About 7-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline

7-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline (PubChem CID 55852939) has the molecular formula C19H24ClN3 and a molecular weight of 329.87 g/mol. Its IUPAC name is 7-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline.

Molecular Properties

Compound Name7-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline
PubChem CID55852939
Molecular FormulaC19H24ClN3
Molecular Weight329.87 g/mol
Exact Mass329.17
IUPAC Name7-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline
SMILESClc1ccc2cccnc2c1CN1CCN(C2CCCC2)CC1
InChIInChI=1S/C19H24ClN3/c20-18-8-7-15-4-3-9-21-19(15)17(18)14-22-10-12-23(13-11-22)16-5-1-2-6-16/h3-4,7-9,16H,1-2,5-6,10-14H2
InChIKeyBGRDSPWKBHYYNV-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-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline
CID 55852938
(3R)-1-[(7-chloroquinolin-8-yl)methyl]piperidin-3-ol
CID 94382578
2-[4-[(7-chloroquinolin-8-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 55831932
7-chloro-8-[[4-(oxan-2-ylmethoxy)piperidin-1-yl]methyl]quinoline
CID 102559179
5-[(4-cyclopentylpiperazin-1-yl)methyl]quinolin-8-ol
CID 171541808
8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)quinoline
CID 78945122
4-[4-[(7-chloroquinolin-8-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 78898359
[4-[(7-chloroquinolin-8-yl)methyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 55853223
[1-[(7-chloroquinolin-8-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120773381
1-cycloheptyl-4-(pyridin-2-ylmethyl)piperazine
CID 787097
(2S)-4-[(7-chloroquinolin-8-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95278653
1-[(4-chloro-2-pyridinyl)methyl]-4-cyclopentylpiperazine
CID 79256003

Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline?
The IUPAC name of 7-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline (CID 55852939) is 7-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline.
What is the SMILES notation for 7-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline?
The canonical SMILES for 7-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline is Clc1ccc2cccnc2c1CN1CCN(C2CCCC2)CC1.
What is the InChIKey of 7-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline?
The InChIKey is BGRDSPWKBHYYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3/c20-18-8-7-15-4-3-9-21-19(15)17(18)14-22-10-12-23(13-11-22)16-5-1-2-6-16/h3-4,7-9,16H,1-2,5-6,10-14H2.
What are the key properties of 7-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline?
7-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 7-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline is sourced from PubChem (CID 55852939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).