7-(3-pyrrolidin-2-ylpropoxy)quinoline

C16H20N2O — CID 107313758

IUPAC7-(3-pyrrolidin-2-ylpropoxy)quinoline
SMILESc1cnc2cc(OCCCC3CCCN3)ccc2c1
InChIInChI=1S/C16H20N2O/c1-4-13-7-8-15(12-16(13)18-10-1)19-11-3-6-14-5-2-9-17-14/h1,4,7-8,10,12,14,17H,2-3,5-6,9,11H2
InChIKeyBEXJAGIYPJOBJZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.15
Rot. Bonds5

About 7-(3-pyrrolidin-2-ylpropoxy)quinoline

7-(3-pyrrolidin-2-ylpropoxy)quinoline (PubChem CID 107313758) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 7-(3-pyrrolidin-2-ylpropoxy)quinoline.

Molecular Properties

Compound Name7-(3-pyrrolidin-2-ylpropoxy)quinoline
PubChem CID107313758
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name7-(3-pyrrolidin-2-ylpropoxy)quinoline
SMILESc1cnc2cc(OCCCC3CCCN3)ccc2c1
InChIInChI=1S/C16H20N2O/c1-4-13-7-8-15(12-16(13)18-10-1)19-11-3-6-14-5-2-9-17-14/h1,4,7-8,10,12,14,17H,2-3,5-6,9,11H2
InChIKeyBEXJAGIYPJOBJZ-UHFFFAOYSA-N
XLogP3.15
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(2-pyrrolidin-2-ylethoxy)quinoline
CID 82130155
7-(piperidin-2-ylmethoxy)quinoline
CID 107313771
2-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]pyrrolidine
CID 55076470
3-quinolin-7-yloxypropane-1-thiol
CID 107315768
N-(2-quinolin-7-yloxyethyl)cyclohexanamine
CID 107315321
2-[3-(4-tert-butylphenoxy)propyl]pyrrolidine
CID 62479956
2-[3-(3-chloro-4-nitrophenoxy)propyl]pyrrolidine
CID 62478362
7-[2-(4-phenoxypiperidin-1-yl)ethoxy]quinoline
CID 134242877
2-[3-(4-propylphenoxy)propyl]pyrrolidine
CID 62548215
bicyclo[3.1.0]hexane;7-(bromomethoxy)quinoline
CID 174932520
3-quinolin-7-yloxypropanal
CID 107314214
7-(3-azidopropoxy)quinoline
CID 107314475

Frequently Asked Questions

What is the IUPAC name of 7-(3-pyrrolidin-2-ylpropoxy)quinoline?
The IUPAC name of 7-(3-pyrrolidin-2-ylpropoxy)quinoline (CID 107313758) is 7-(3-pyrrolidin-2-ylpropoxy)quinoline.
What is the SMILES notation for 7-(3-pyrrolidin-2-ylpropoxy)quinoline?
The canonical SMILES for 7-(3-pyrrolidin-2-ylpropoxy)quinoline is c1cnc2cc(OCCCC3CCCN3)ccc2c1.
What is the InChIKey of 7-(3-pyrrolidin-2-ylpropoxy)quinoline?
The InChIKey is BEXJAGIYPJOBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-4-13-7-8-15(12-16(13)18-10-1)19-11-3-6-14-5-2-9-17-14/h1,4,7-8,10,12,14,17H,2-3,5-6,9,11H2.
What are the key properties of 7-(3-pyrrolidin-2-ylpropoxy)quinoline?
7-(3-pyrrolidin-2-ylpropoxy)quinoline has a molecular weight of 256.35 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-pyrrolidin-2-ylpropoxy)quinoline is sourced from PubChem (CID 107313758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).