2-[2-(2-bromoethyl)pyrrolidin-1-yl]quinoline

C15H17BrN2 — CID 112748091

IUPAC2-[2-(2-bromoethyl)pyrrolidin-1-yl]quinoline
SMILESBrCCC1CCCN1c1ccc2ccccc2n1
InChIInChI=1S/C15H17BrN2/c16-10-9-13-5-3-11-18(13)15-8-7-12-4-1-2-6-14(12)17-15/h1-2,4,6-8,13H,3,5,9-11H2
InChIKeyCZHHJTMKEOXJDI-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.99
Rot. Bonds3

About 2-[2-(2-bromoethyl)pyrrolidin-1-yl]quinoline

2-[2-(2-bromoethyl)pyrrolidin-1-yl]quinoline (PubChem CID 112748091) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 2-[2-(2-bromoethyl)pyrrolidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[2-(2-bromoethyl)pyrrolidin-1-yl]quinoline
PubChem CID112748091
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name2-[2-(2-bromoethyl)pyrrolidin-1-yl]quinoline
SMILESBrCCC1CCCN1c1ccc2ccccc2n1
InChIInChI=1S/C15H17BrN2/c16-10-9-13-5-3-11-18(13)15-8-7-12-4-1-2-6-14(12)17-15/h1-2,4,6-8,13H,3,5,9-11H2
InChIKeyCZHHJTMKEOXJDI-UHFFFAOYSA-N
XLogP3.99
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 53.99
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-(2-bromoethyl)pyrrolidin-1-yl]quinoline?
The IUPAC name of 2-[2-(2-bromoethyl)pyrrolidin-1-yl]quinoline (CID 112748091) is 2-[2-(2-bromoethyl)pyrrolidin-1-yl]quinoline.
What is the SMILES notation for 2-[2-(2-bromoethyl)pyrrolidin-1-yl]quinoline?
The canonical SMILES for 2-[2-(2-bromoethyl)pyrrolidin-1-yl]quinoline is BrCCC1CCCN1c1ccc2ccccc2n1.
What is the InChIKey of 2-[2-(2-bromoethyl)pyrrolidin-1-yl]quinoline?
The InChIKey is CZHHJTMKEOXJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c16-10-9-13-5-3-11-18(13)15-8-7-12-4-1-2-6-14(12)17-15/h1-2,4,6-8,13H,3,5,9-11H2.
What are the key properties of 2-[2-(2-bromoethyl)pyrrolidin-1-yl]quinoline?
2-[2-(2-bromoethyl)pyrrolidin-1-yl]quinoline has a molecular weight of 305.22 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromoethyl)pyrrolidin-1-yl]quinoline is sourced from PubChem (CID 112748091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).