2-[2-(3-chloropropyl)pyrrolidin-1-yl]quinoline

C16H19ClN2 — CID 63390155

IUPAC2-[2-(3-chloropropyl)pyrrolidin-1-yl]quinoline
SMILESClCCCC1CCCN1c1ccc2ccccc2n1
InChIInChI=1S/C16H19ClN2/c17-11-3-6-14-7-4-12-19(14)16-10-9-13-5-1-2-8-15(13)18-16/h1-2,5,8-10,14H,3-4,6-7,11-12H2
InChIKeyHEURRUOGWGUKSZ-UHFFFAOYSA-N
MW274.79 g/mol
LogP4.22
Rot. Bonds4

About 2-[2-(3-chloropropyl)pyrrolidin-1-yl]quinoline

2-[2-(3-chloropropyl)pyrrolidin-1-yl]quinoline (PubChem CID 63390155) has the molecular formula C16H19ClN2 and a molecular weight of 274.79 g/mol. Its IUPAC name is 2-[2-(3-chloropropyl)pyrrolidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[2-(3-chloropropyl)pyrrolidin-1-yl]quinoline
PubChem CID63390155
Molecular FormulaC16H19ClN2
Molecular Weight274.79 g/mol
Exact Mass274.12
IUPAC Name2-[2-(3-chloropropyl)pyrrolidin-1-yl]quinoline
SMILESClCCCC1CCCN1c1ccc2ccccc2n1
InChIInChI=1S/C16H19ClN2/c17-11-3-6-14-7-4-12-19(14)16-10-9-13-5-1-2-8-15(13)18-16/h1-2,5,8-10,14H,3-4,6-7,11-12H2
InChIKeyHEURRUOGWGUKSZ-UHFFFAOYSA-N
XLogP4.22
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chloropropyl)pyrrolidin-1-yl]quinoline?
The IUPAC name of 2-[2-(3-chloropropyl)pyrrolidin-1-yl]quinoline (CID 63390155) is 2-[2-(3-chloropropyl)pyrrolidin-1-yl]quinoline.
What is the SMILES notation for 2-[2-(3-chloropropyl)pyrrolidin-1-yl]quinoline?
The canonical SMILES for 2-[2-(3-chloropropyl)pyrrolidin-1-yl]quinoline is ClCCCC1CCCN1c1ccc2ccccc2n1.
What is the InChIKey of 2-[2-(3-chloropropyl)pyrrolidin-1-yl]quinoline?
The InChIKey is HEURRUOGWGUKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c17-11-3-6-14-7-4-12-19(14)16-10-9-13-5-1-2-8-15(13)18-16/h1-2,5,8-10,14H,3-4,6-7,11-12H2.
What are the key properties of 2-[2-(3-chloropropyl)pyrrolidin-1-yl]quinoline?
2-[2-(3-chloropropyl)pyrrolidin-1-yl]quinoline has a molecular weight of 274.79 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloropropyl)pyrrolidin-1-yl]quinoline is sourced from PubChem (CID 63390155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).