8-(2-chlorocycloheptyl)quinoline

C16H18ClN — CID 81223913

IUPAC8-(2-chlorocycloheptyl)quinoline
SMILESClC1CCCCCC1c1cccc2cccnc12
InChIInChI=1S/C16H18ClN/c17-15-10-3-1-2-8-13(15)14-9-4-6-12-7-5-11-18-16(12)14/h4-7,9,11,13,15H,1-3,8,10H2
InChIKeyJEBRXLSLDOWBEV-UHFFFAOYSA-N
MW259.78 g/mol
LogP4.89
Rot. Bonds1

About 8-(2-chlorocycloheptyl)quinoline

8-(2-chlorocycloheptyl)quinoline (PubChem CID 81223913) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is 8-(2-chlorocycloheptyl)quinoline.

Molecular Properties

Compound Name8-(2-chlorocycloheptyl)quinoline
PubChem CID81223913
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC Name8-(2-chlorocycloheptyl)quinoline
SMILESClC1CCCCCC1c1cccc2cccnc12
InChIInChI=1S/C16H18ClN/c17-15-10-3-1-2-8-13(15)14-9-4-6-12-7-5-11-18-16(12)14/h4-7,9,11,13,15H,1-3,8,10H2
InChIKeyJEBRXLSLDOWBEV-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'}

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Frequently Asked Questions

What is the IUPAC name of 8-(2-chlorocycloheptyl)quinoline?
The IUPAC name of 8-(2-chlorocycloheptyl)quinoline (CID 81223913) is 8-(2-chlorocycloheptyl)quinoline.
What is the SMILES notation for 8-(2-chlorocycloheptyl)quinoline?
The canonical SMILES for 8-(2-chlorocycloheptyl)quinoline is ClC1CCCCCC1c1cccc2cccnc12.
What is the InChIKey of 8-(2-chlorocycloheptyl)quinoline?
The InChIKey is JEBRXLSLDOWBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN/c17-15-10-3-1-2-8-13(15)14-9-4-6-12-7-5-11-18-16(12)14/h4-7,9,11,13,15H,1-3,8,10H2.
What are the key properties of 8-(2-chlorocycloheptyl)quinoline?
8-(2-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 8-(2-chlorocycloheptyl)quinoline is sourced from PubChem (CID 81223913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).