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

C16H20N2O — CID 141047527

IUPAC2-(3-pyrrolidin-1-ylpropoxy)quinoline
SMILESc1ccc2nc(OCCCN3CCCC3)ccc2c1
InChIInChI=1S/C16H20N2O/c1-2-7-15-14(6-1)8-9-16(17-15)19-13-5-12-18-10-3-4-11-18/h1-2,6-9H,3-5,10-13H2
InChIKeyWPPKYDHAULKUDQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.10
Rot. Bonds5

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

2-(3-pyrrolidin-1-ylpropoxy)quinoline (PubChem CID 141047527) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(3-pyrrolidin-1-ylpropoxy)quinoline.

Molecular Properties

Compound Name2-(3-pyrrolidin-1-ylpropoxy)quinoline
PubChem CID141047527
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-(3-pyrrolidin-1-ylpropoxy)quinoline
SMILESc1ccc2nc(OCCCN3CCCC3)ccc2c1
InChIInChI=1S/C16H20N2O/c1-2-7-15-14(6-1)8-9-16(17-15)19-13-5-12-18-10-3-4-11-18/h1-2,6-9H,3-5,10-13H2
InChIKeyWPPKYDHAULKUDQ-UHFFFAOYSA-N
XLogP3.10
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-piperazin-1-ylpropoxy)quinoline
CID 123227768
3-(3-pyrrolidin-1-ylpropoxy)quinolin-2-amine
CID 175884266
2-(3-pyrrolidin-1-ylpropoxy)quinoline-6-carboxylic acid;hydrochloride
CID 122585506
2-(2-piperidin-1-ylethoxy)quinolin-6-amine
CID 61104220
5-bromo-2-(3-pyrrolidin-1-ylpropoxy)pyridine
CID 118523377
1-[3-(2-chlorophenoxy)propyl]piperidine
CID 2058914
6-(3-pyrrolidin-1-ylpropoxy)thieno[2,3-b]pyridine-2-carboxylic acid
CID 169229580
1-(4-naphthalen-1-yloxybutyl)azepane
CID 2195259
N-(3-pyrrolidin-1-ylpropyl)quinoline-2-carboxamide
CID 51110395
2-[2-(2-quinolin-2-yloxyethoxy)ethoxy]ethanol
CID 142628371
1-[3-(2-bromophenoxy)propyl]azepane
CID 2195329
methane;1-(5-naphthalen-1-yloxypentyl)pyrrolidine
CID 160697643

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrrolidin-1-ylpropoxy)quinoline?
The IUPAC name of 2-(3-pyrrolidin-1-ylpropoxy)quinoline (CID 141047527) is 2-(3-pyrrolidin-1-ylpropoxy)quinoline.
What is the SMILES notation for 2-(3-pyrrolidin-1-ylpropoxy)quinoline?
The canonical SMILES for 2-(3-pyrrolidin-1-ylpropoxy)quinoline is c1ccc2nc(OCCCN3CCCC3)ccc2c1.
What is the InChIKey of 2-(3-pyrrolidin-1-ylpropoxy)quinoline?
The InChIKey is WPPKYDHAULKUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-7-15-14(6-1)8-9-16(17-15)19-13-5-12-18-10-3-4-11-18/h1-2,6-9H,3-5,10-13H2.
What are the key properties of 2-(3-pyrrolidin-1-ylpropoxy)quinoline?
2-(3-pyrrolidin-1-ylpropoxy)quinoline has a molecular weight of 256.35 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrrolidin-1-ylpropoxy)quinoline is sourced from PubChem (CID 141047527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).