6-(3-bromocyclopentyl)quinoline

C14H14BrN — CID 81221641

IUPAC6-(3-bromocyclopentyl)quinoline
SMILESBrC1CCC(c2ccc3ncccc3c2)C1
InChIInChI=1S/C14H14BrN/c15-13-5-3-11(9-13)10-4-6-14-12(8-10)2-1-7-16-14/h1-2,4,6-8,11,13H,3,5,9H2
InChIKeyRQLYSOWFHHNGLY-UHFFFAOYSA-N
MW276.18 g/mol
LogP4.27
Rot. Bonds1

About 6-(3-bromocyclopentyl)quinoline

6-(3-bromocyclopentyl)quinoline (PubChem CID 81221641) has the molecular formula C14H14BrN and a molecular weight of 276.18 g/mol. Its IUPAC name is 6-(3-bromocyclopentyl)quinoline.

Molecular Properties

Compound Name6-(3-bromocyclopentyl)quinoline
PubChem CID81221641
Molecular FormulaC14H14BrN
Molecular Weight276.18 g/mol
Exact Mass275.03
IUPAC Name6-(3-bromocyclopentyl)quinoline
SMILESBrC1CCC(c2ccc3ncccc3c2)C1
InChIInChI=1S/C14H14BrN/c15-13-5-3-11(9-13)10-4-6-14-12(8-10)2-1-7-16-14/h1-2,4,6-8,11,13H,3,5,9H2
InChIKeyRQLYSOWFHHNGLY-UHFFFAOYSA-N
XLogP4.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 6-(3-bromocyclopentyl)quinoline?
The IUPAC name of 6-(3-bromocyclopentyl)quinoline (CID 81221641) is 6-(3-bromocyclopentyl)quinoline.
What is the SMILES notation for 6-(3-bromocyclopentyl)quinoline?
The canonical SMILES for 6-(3-bromocyclopentyl)quinoline is BrC1CCC(c2ccc3ncccc3c2)C1.
What is the InChIKey of 6-(3-bromocyclopentyl)quinoline?
The InChIKey is RQLYSOWFHHNGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN/c15-13-5-3-11(9-13)10-4-6-14-12(8-10)2-1-7-16-14/h1-2,4,6-8,11,13H,3,5,9H2.
What are the key properties of 6-(3-bromocyclopentyl)quinoline?
6-(3-bromocyclopentyl)quinoline has a molecular weight of 276.18 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromocyclopentyl)quinoline is sourced from PubChem (CID 81221641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).