2-(3-piperazin-1-ylpropoxy)quinoline

C16H21N3O — CID 123227768

IUPAC2-(3-piperazin-1-ylpropoxy)quinoline
SMILESc1ccc2nc(OCCCN3CCNCC3)ccc2c1
InChIInChI=1S/C16H21N3O/c1-2-5-15-14(4-1)6-7-16(18-15)20-13-3-10-19-11-8-17-9-12-19/h1-2,4-7,17H,3,8-13H2
InChIKeyNMXMXGAQTPHOJH-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.91
Rot. Bonds5

About 2-(3-piperazin-1-ylpropoxy)quinoline

2-(3-piperazin-1-ylpropoxy)quinoline (PubChem CID 123227768) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(3-piperazin-1-ylpropoxy)quinoline.

Molecular Properties

Compound Name2-(3-piperazin-1-ylpropoxy)quinoline
PubChem CID123227768
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-(3-piperazin-1-ylpropoxy)quinoline
SMILESc1ccc2nc(OCCCN3CCNCC3)ccc2c1
InChIInChI=1S/C16H21N3O/c1-2-5-15-14(4-1)6-7-16(18-15)20-13-3-10-19-11-8-17-9-12-19/h1-2,4-7,17H,3,8-13H2
InChIKeyNMXMXGAQTPHOJH-UHFFFAOYSA-N
XLogP1.91
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-pyrrolidin-1-ylpropoxy)quinoline
CID 141047527
7-(3-piperazin-1-ylpropoxy)-1H-1,8-naphthyridin-2-one
CID 21073478
1-(3-phenoxypropyl)piperazine
CID 2760351
N-methyl-N-(2-piperazin-1-ylethyl)quinolin-2-amine
CID 63266429
4-methyl-2-phenyl-6-(3-piperazin-1-ylpropoxy)pyrimidine
CID 118722995
2-quinolin-2-yloxyethanol
CID 19898678
1-[3-(2-tert-butylphenoxy)propyl]piperazine
CID 2194690
1-pentylpiperazine;quinazolin-2-amine
CID 175024376
2-chloro-3-(3-piperazin-1-ylpropyl)quinoline
CID 170868283
1-[4-(2-bromophenoxy)butyl]piperazine
CID 2944247
3-(3-piperazin-1-ylpropyl)cinnoline
CID 116988016
2-(3-pyrrolidin-1-ylpropoxy)quinoline-6-carboxylic acid;hydrochloride
CID 122585506

Frequently Asked Questions

What is the IUPAC name of 2-(3-piperazin-1-ylpropoxy)quinoline?
The IUPAC name of 2-(3-piperazin-1-ylpropoxy)quinoline (CID 123227768) is 2-(3-piperazin-1-ylpropoxy)quinoline.
What is the SMILES notation for 2-(3-piperazin-1-ylpropoxy)quinoline?
The canonical SMILES for 2-(3-piperazin-1-ylpropoxy)quinoline is c1ccc2nc(OCCCN3CCNCC3)ccc2c1.
What is the InChIKey of 2-(3-piperazin-1-ylpropoxy)quinoline?
The InChIKey is NMXMXGAQTPHOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-5-15-14(4-1)6-7-16(18-15)20-13-3-10-19-11-8-17-9-12-19/h1-2,4-7,17H,3,8-13H2.
What are the key properties of 2-(3-piperazin-1-ylpropoxy)quinoline?
2-(3-piperazin-1-ylpropoxy)quinoline has a molecular weight of 271.36 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperazin-1-ylpropoxy)quinoline is sourced from PubChem (CID 123227768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).