1-methylquinolin-1-ium-8-ol;chloride;hydrate

C10H12ClNO2 — CID 71430086

IUPAC1-methylquinolin-1-ium-8-ol;chloride;hydrate
SMILESC[n+]1cccc2cccc(O)c21.O.[Cl-]
InChIInChI=1S/C10H9NO.ClH.H2O/c1-11-7-3-5-8-4-2-6-9(12)10(8)11;;/h2-7H,1H3;1H;1H2
InChIKeyAIFNQWYTNWWMAW-UHFFFAOYSA-N
MW213.66 g/mol
LogP-2.45
Rot. Bonds

About 1-methylquinolin-1-ium-8-ol;chloride;hydrate

1-methylquinolin-1-ium-8-ol;chloride;hydrate (PubChem CID 71430086) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 1-methylquinolin-1-ium-8-ol;chloride;hydrate.

Molecular Properties

Compound Name1-methylquinolin-1-ium-8-ol;chloride;hydrate
PubChem CID71430086
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name1-methylquinolin-1-ium-8-ol;chloride;hydrate
SMILESC[n+]1cccc2cccc(O)c21.O.[Cl-]
InChIInChI=1S/C10H9NO.ClH.H2O/c1-11-7-3-5-8-4-2-6-9(12)10(8)11;;/h2-7H,1H3;1H;1H2
InChIKeyAIFNQWYTNWWMAW-UHFFFAOYSA-N
XLogP-2.45
TPSA55.61 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 5-2.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methylquinolin-1-ium-8-ol;chloride;hydrate?
The IUPAC name of 1-methylquinolin-1-ium-8-ol;chloride;hydrate (CID 71430086) is 1-methylquinolin-1-ium-8-ol;chloride;hydrate.
What is the SMILES notation for 1-methylquinolin-1-ium-8-ol;chloride;hydrate?
The canonical SMILES for 1-methylquinolin-1-ium-8-ol;chloride;hydrate is C[n+]1cccc2cccc(O)c21.O.[Cl-].
What is the InChIKey of 1-methylquinolin-1-ium-8-ol;chloride;hydrate?
The InChIKey is AIFNQWYTNWWMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO.ClH.H2O/c1-11-7-3-5-8-4-2-6-9(12)10(8)11;;/h2-7H,1H3;1H;1H2.
What are the key properties of 1-methylquinolin-1-ium-8-ol;chloride;hydrate?
1-methylquinolin-1-ium-8-ol;chloride;hydrate has a molecular weight of 213.66 g/mol, XLogP of -2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylquinolin-1-ium-8-ol;chloride;hydrate is sourced from PubChem (CID 71430086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).