5-[2-(1-propan-2-ylpyrrolidin-3-yl)ethyl]quinoline

C18H24N2 — CID 126704800

IUPAC5-[2-(1-propan-2-ylpyrrolidin-3-yl)ethyl]quinoline
SMILESCC(C)N1CCC(CCc2cccc3ncccc23)C1
InChIInChI=1S/C18H24N2/c1-14(2)20-12-10-15(13-20)8-9-16-5-3-7-18-17(16)6-4-11-19-18/h3-7,11,14-15H,8-10,12-13H2,1-2H3
InChIKeyVOMDURIFWNGTEA-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.90
Rot. Bonds4

About 5-[2-(1-propan-2-ylpyrrolidin-3-yl)ethyl]quinoline

5-[2-(1-propan-2-ylpyrrolidin-3-yl)ethyl]quinoline (PubChem CID 126704800) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 5-[2-(1-propan-2-ylpyrrolidin-3-yl)ethyl]quinoline.

Molecular Properties

Compound Name5-[2-(1-propan-2-ylpyrrolidin-3-yl)ethyl]quinoline
PubChem CID126704800
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name5-[2-(1-propan-2-ylpyrrolidin-3-yl)ethyl]quinoline
SMILESCC(C)N1CCC(CCc2cccc3ncccc23)C1
InChIInChI=1S/C18H24N2/c1-14(2)20-12-10-15(13-20)8-9-16-5-3-7-18-17(16)6-4-11-19-18/h3-7,11,14-15H,8-10,12-13H2,1-2H3
InChIKeyVOMDURIFWNGTEA-UHFFFAOYSA-N
XLogP3.90
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-propan-2-ylpyrrolidin-3-yl)ethyl]quinoline?
The IUPAC name of 5-[2-(1-propan-2-ylpyrrolidin-3-yl)ethyl]quinoline (CID 126704800) is 5-[2-(1-propan-2-ylpyrrolidin-3-yl)ethyl]quinoline.
What is the SMILES notation for 5-[2-(1-propan-2-ylpyrrolidin-3-yl)ethyl]quinoline?
The canonical SMILES for 5-[2-(1-propan-2-ylpyrrolidin-3-yl)ethyl]quinoline is CC(C)N1CCC(CCc2cccc3ncccc23)C1.
What is the InChIKey of 5-[2-(1-propan-2-ylpyrrolidin-3-yl)ethyl]quinoline?
The InChIKey is VOMDURIFWNGTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-14(2)20-12-10-15(13-20)8-9-16-5-3-7-18-17(16)6-4-11-19-18/h3-7,11,14-15H,8-10,12-13H2,1-2H3.
What are the key properties of 5-[2-(1-propan-2-ylpyrrolidin-3-yl)ethyl]quinoline?
5-[2-(1-propan-2-ylpyrrolidin-3-yl)ethyl]quinoline has a molecular weight of 268.40 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-propan-2-ylpyrrolidin-3-yl)ethyl]quinoline is sourced from PubChem (CID 126704800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).