2-chloro-3-cyclohexylquinoline

C15H16ClN — CID 14001235

IUPAC2-chloro-3-cyclohexylquinoline
SMILESClc1nc2ccccc2cc1C1CCCCC1
InChIInChI=1S/C15H16ClN/c16-15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14(12)17-15/h4-5,8-11H,1-3,6-7H2
InChIKeyBAMMOBGPHAYLEV-UHFFFAOYSA-N
MW245.75 g/mol
LogP4.94
Rot. Bonds1

About 2-chloro-3-cyclohexylquinoline

2-chloro-3-cyclohexylquinoline (PubChem CID 14001235) has the molecular formula C15H16ClN and a molecular weight of 245.75 g/mol. Its IUPAC name is 2-chloro-3-cyclohexylquinoline.

Molecular Properties

Compound Name2-chloro-3-cyclohexylquinoline
PubChem CID14001235
Molecular FormulaC15H16ClN
Molecular Weight245.75 g/mol
Exact Mass245.10
IUPAC Name2-chloro-3-cyclohexylquinoline
SMILESClc1nc2ccccc2cc1C1CCCCC1
InChIInChI=1S/C15H16ClN/c16-15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14(12)17-15/h4-5,8-11H,1-3,6-7H2
InChIKeyBAMMOBGPHAYLEV-UHFFFAOYSA-N
XLogP4.94
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 ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-cyclohexylquinoline?
The IUPAC name of 2-chloro-3-cyclohexylquinoline (CID 14001235) is 2-chloro-3-cyclohexylquinoline.
What is the SMILES notation for 2-chloro-3-cyclohexylquinoline?
The canonical SMILES for 2-chloro-3-cyclohexylquinoline is Clc1nc2ccccc2cc1C1CCCCC1.
What is the InChIKey of 2-chloro-3-cyclohexylquinoline?
The InChIKey is BAMMOBGPHAYLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN/c16-15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14(12)17-15/h4-5,8-11H,1-3,6-7H2.
What are the key properties of 2-chloro-3-cyclohexylquinoline?
2-chloro-3-cyclohexylquinoline has a molecular weight of 245.75 g/mol, XLogP of 4.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-cyclohexylquinoline is sourced from PubChem (CID 14001235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).