2-chloro-3-(3-piperazin-1-ylpropyl)quinoline

C16H20ClN3 — CID 170868283

IUPAC2-chloro-3-(3-piperazin-1-ylpropyl)quinoline
SMILESClc1nc2ccccc2cc1CCCN1CCNCC1
InChIInChI=1S/C16H20ClN3/c17-16-14(5-3-9-20-10-7-18-8-11-20)12-13-4-1-2-6-15(13)19-16/h1-2,4,6,12,18H,3,5,7-11H2
InChIKeyKQKGXMOKUSPZIK-UHFFFAOYSA-N
MW289.81 g/mol
LogP2.73
Rot. Bonds4

About 2-chloro-3-(3-piperazin-1-ylpropyl)quinoline

2-chloro-3-(3-piperazin-1-ylpropyl)quinoline (PubChem CID 170868283) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 2-chloro-3-(3-piperazin-1-ylpropyl)quinoline.

Molecular Properties

Compound Name2-chloro-3-(3-piperazin-1-ylpropyl)quinoline
PubChem CID170868283
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name2-chloro-3-(3-piperazin-1-ylpropyl)quinoline
SMILESClc1nc2ccccc2cc1CCCN1CCNCC1
InChIInChI=1S/C16H20ClN3/c17-16-14(5-3-9-20-10-7-18-8-11-20)12-13-4-1-2-6-15(13)19-16/h1-2,4,6,12,18H,3,5,7-11H2
InChIKeyKQKGXMOKUSPZIK-UHFFFAOYSA-N
XLogP2.73
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-8-ethyl-3-(3-piperazin-1-ylpropyl)quinoline
CID 170868293
3-(3-piperazin-1-ylpropyl)cinnoline
CID 116988016
2-chloro-3-(piperidin-1-ylmethyl)quinoline
CID 60669623
3-(2-chloroquinolin-3-yl)-N-methylpropan-1-amine
CID 116985191
2-(2-chloroquinolin-3-yl)ethanol
CID 116985217
3-(3-piperazin-1-ylpropyl)isoquinoline
CID 170868308
2-(3-piperazin-1-ylpropyl)aniline
CID 82161391
4-(2-chloroquinolin-3-yl)butanoic acid
CID 116985219
2-(3-piperazin-1-ylpropyl)-1,3-benzothiazole
CID 116999900
2-chloro-3-(pyrrolidin-3-ylmethyl)quinoline
CID 116985205
2-(3-piperazin-1-ylpropoxy)quinoline
CID 123227768
3-[[1,3-bis[(2-chloroquinolin-3-yl)methyl]triazinan-5-yl]methyl]-2-chloroquinoline
CID 87655351

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(3-piperazin-1-ylpropyl)quinoline?
The IUPAC name of 2-chloro-3-(3-piperazin-1-ylpropyl)quinoline (CID 170868283) is 2-chloro-3-(3-piperazin-1-ylpropyl)quinoline.
What is the SMILES notation for 2-chloro-3-(3-piperazin-1-ylpropyl)quinoline?
The canonical SMILES for 2-chloro-3-(3-piperazin-1-ylpropyl)quinoline is Clc1nc2ccccc2cc1CCCN1CCNCC1.
What is the InChIKey of 2-chloro-3-(3-piperazin-1-ylpropyl)quinoline?
The InChIKey is KQKGXMOKUSPZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c17-16-14(5-3-9-20-10-7-18-8-11-20)12-13-4-1-2-6-15(13)19-16/h1-2,4,6,12,18H,3,5,7-11H2.
What are the key properties of 2-chloro-3-(3-piperazin-1-ylpropyl)quinoline?
2-chloro-3-(3-piperazin-1-ylpropyl)quinoline has a molecular weight of 289.81 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(3-piperazin-1-ylpropyl)quinoline is sourced from PubChem (CID 170868283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).