2-(4-methylquinolin-1-ium-1-yl)ethanol

C12H14NO+ — CID 793019

IUPAC2-(4-methylquinolin-1-ium-1-yl)ethanol
SMILESCc1cc[n+](CCO)c2ccccc12
InChIInChI=1S/C12H14NO/c1-10-6-7-13(8-9-14)12-5-3-2-4-11(10)12/h2-7,14H,8-9H2,1H3/q+1
InChIKeyLILGQFGFIGFPKR-UHFFFAOYSA-N
MW188.25 g/mol
LogP1.43
Rot. Bonds2

About 2-(4-methylquinolin-1-ium-1-yl)ethanol

2-(4-methylquinolin-1-ium-1-yl)ethanol (PubChem CID 793019) has the molecular formula C12H14NO+ and a molecular weight of 188.25 g/mol. Its IUPAC name is 2-(4-methylquinolin-1-ium-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-methylquinolin-1-ium-1-yl)ethanol
PubChem CID793019
Molecular FormulaC12H14NO+
Molecular Weight188.25 g/mol
Exact Mass188.11
IUPAC Name2-(4-methylquinolin-1-ium-1-yl)ethanol
SMILESCc1cc[n+](CCO)c2ccccc12
InChIInChI=1S/C12H14NO/c1-10-6-7-13(8-9-14)12-5-3-2-4-11(10)12/h2-7,14H,8-9H2,1H3/q+1
InChIKeyLILGQFGFIGFPKR-UHFFFAOYSA-N
XLogP1.43
TPSA24.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylquinolin-1-ium-1-yl)ethanol?
The IUPAC name of 2-(4-methylquinolin-1-ium-1-yl)ethanol (CID 793019) is 2-(4-methylquinolin-1-ium-1-yl)ethanol.
What is the SMILES notation for 2-(4-methylquinolin-1-ium-1-yl)ethanol?
The canonical SMILES for 2-(4-methylquinolin-1-ium-1-yl)ethanol is Cc1cc[n+](CCO)c2ccccc12.
What is the InChIKey of 2-(4-methylquinolin-1-ium-1-yl)ethanol?
The InChIKey is LILGQFGFIGFPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14NO/c1-10-6-7-13(8-9-14)12-5-3-2-4-11(10)12/h2-7,14H,8-9H2,1H3/q+1.
What are the key properties of 2-(4-methylquinolin-1-ium-1-yl)ethanol?
2-(4-methylquinolin-1-ium-1-yl)ethanol has a molecular weight of 188.25 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylquinolin-1-ium-1-yl)ethanol is sourced from PubChem (CID 793019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).