3-(3-chloro-1-methylcyclopentyl)quinoline

C15H16ClN — CID 116540254

IUPAC3-(3-chloro-1-methylcyclopentyl)quinoline
SMILESCC1(c2cnc3ccccc3c2)CCC(Cl)C1
InChIInChI=1S/C15H16ClN/c1-15(7-6-13(16)9-15)12-8-11-4-2-3-5-14(11)17-10-12/h2-5,8,10,13H,6-7,9H2,1H3
InChIKeyQUWNYQDXOXVIRE-UHFFFAOYSA-N
MW245.75 g/mol
LogP4.28
Rot. Bonds1

About 3-(3-chloro-1-methylcyclopentyl)quinoline

3-(3-chloro-1-methylcyclopentyl)quinoline (PubChem CID 116540254) has the molecular formula C15H16ClN and a molecular weight of 245.75 g/mol. Its IUPAC name is 3-(3-chloro-1-methylcyclopentyl)quinoline.

Molecular Properties

Compound Name3-(3-chloro-1-methylcyclopentyl)quinoline
PubChem CID116540254
Molecular FormulaC15H16ClN
Molecular Weight245.75 g/mol
Exact Mass245.10
IUPAC Name3-(3-chloro-1-methylcyclopentyl)quinoline
SMILESCC1(c2cnc3ccccc3c2)CCC(Cl)C1
InChIInChI=1S/C15H16ClN/c1-15(7-6-13(16)9-15)12-8-11-4-2-3-5-14(11)17-10-12/h2-5,8,10,13H,6-7,9H2,1H3
InChIKeyQUWNYQDXOXVIRE-UHFFFAOYSA-N
XLogP4.28
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(3-chloro-1-methylcyclopentyl)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 3-(3-chloro-1-methylcyclopentyl)quinoline?
The IUPAC name of 3-(3-chloro-1-methylcyclopentyl)quinoline (CID 116540254) is 3-(3-chloro-1-methylcyclopentyl)quinoline.
What is the SMILES notation for 3-(3-chloro-1-methylcyclopentyl)quinoline?
The canonical SMILES for 3-(3-chloro-1-methylcyclopentyl)quinoline is CC1(c2cnc3ccccc3c2)CCC(Cl)C1.
What is the InChIKey of 3-(3-chloro-1-methylcyclopentyl)quinoline?
The InChIKey is QUWNYQDXOXVIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN/c1-15(7-6-13(16)9-15)12-8-11-4-2-3-5-14(11)17-10-12/h2-5,8,10,13H,6-7,9H2,1H3.
What are the key properties of 3-(3-chloro-1-methylcyclopentyl)quinoline?
3-(3-chloro-1-methylcyclopentyl)quinoline has a molecular weight of 245.75 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-1-methylcyclopentyl)quinoline is sourced from PubChem (CID 116540254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).