quinoline;hydrochloride;hydroiodide

C9H9ClIN — CID 161378453

IUPACquinoline;hydrochloride;hydroiodide
SMILESCl.I.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.ClH.HI/c1-2-6-9-8(4-1)5-3-7-10-9;;/h1-7H;2*1H
InChIKeyOEAQZWNEQOJMPR-UHFFFAOYSA-N
MW293.54 g/mol
LogP3.27
Rot. Bonds

About quinoline;hydrochloride;hydroiodide

quinoline;hydrochloride;hydroiodide (PubChem CID 161378453) has the molecular formula C9H9ClIN and a molecular weight of 293.54 g/mol. Its IUPAC name is quinoline;hydrochloride;hydroiodide.

Molecular Properties

Compound Namequinoline;hydrochloride;hydroiodide
PubChem CID161378453
Molecular FormulaC9H9ClIN
Molecular Weight293.54 g/mol
Exact Mass292.95
IUPAC Namequinoline;hydrochloride;hydroiodide
SMILESCl.I.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.ClH.HI/c1-2-6-9-8(4-1)5-3-7-10-9;;/h1-7H;2*1H
InChIKeyOEAQZWNEQOJMPR-UHFFFAOYSA-N
XLogP3.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.54
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of quinoline;hydrochloride;hydroiodide?
The IUPAC name of quinoline;hydrochloride;hydroiodide (CID 161378453) is quinoline;hydrochloride;hydroiodide.
What is the SMILES notation for quinoline;hydrochloride;hydroiodide?
The canonical SMILES for quinoline;hydrochloride;hydroiodide is Cl.I.c1ccc2ncccc2c1.
What is the InChIKey of quinoline;hydrochloride;hydroiodide?
The InChIKey is OEAQZWNEQOJMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.ClH.HI/c1-2-6-9-8(4-1)5-3-7-10-9;;/h1-7H;2*1H.
What are the key properties of quinoline;hydrochloride;hydroiodide?
quinoline;hydrochloride;hydroiodide has a molecular weight of 293.54 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for quinoline;hydrochloride;hydroiodide is sourced from PubChem (CID 161378453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).