5-(3-chlorocycloheptyl)quinoline

C16H18ClN — CID 81222338

IUPAC5-(3-chlorocycloheptyl)quinoline
SMILESClC1CCCCC(c2cccc3ncccc23)C1
InChIInChI=1S/C16H18ClN/c17-13-6-2-1-5-12(11-13)14-7-3-9-16-15(14)8-4-10-18-16/h3-4,7-10,12-13H,1-2,5-6,11H2
InChIKeyQTUDVIBRXBLEEX-UHFFFAOYSA-N
MW259.78 g/mol
LogP4.89
Rot. Bonds1

About 5-(3-chlorocycloheptyl)quinoline

5-(3-chlorocycloheptyl)quinoline (PubChem CID 81222338) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is 5-(3-chlorocycloheptyl)quinoline.

Molecular Properties

Compound Name5-(3-chlorocycloheptyl)quinoline
PubChem CID81222338
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC Name5-(3-chlorocycloheptyl)quinoline
SMILESClC1CCCCC(c2cccc3ncccc23)C1
InChIInChI=1S/C16H18ClN/c17-13-6-2-1-5-12(11-13)14-7-3-9-16-15(14)8-4-10-18-16/h3-4,7-10,12-13H,1-2,5-6,11H2
InChIKeyQTUDVIBRXBLEEX-UHFFFAOYSA-N
XLogP4.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-(3-chlorocycloheptyl)quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorocycloheptyl)quinoline?
The IUPAC name of 5-(3-chlorocycloheptyl)quinoline (CID 81222338) is 5-(3-chlorocycloheptyl)quinoline.
What is the SMILES notation for 5-(3-chlorocycloheptyl)quinoline?
The canonical SMILES for 5-(3-chlorocycloheptyl)quinoline is ClC1CCCCC(c2cccc3ncccc23)C1.
What is the InChIKey of 5-(3-chlorocycloheptyl)quinoline?
The InChIKey is QTUDVIBRXBLEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN/c17-13-6-2-1-5-12(11-13)14-7-3-9-16-15(14)8-4-10-18-16/h3-4,7-10,12-13H,1-2,5-6,11H2.
What are the key properties of 5-(3-chlorocycloheptyl)quinoline?
5-(3-chlorocycloheptyl)quinoline has a molecular weight of 259.78 g/mol, XLogP of 4.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorocycloheptyl)quinoline is sourced from PubChem (CID 81222338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).