1-methyl-6-propan-2-ylquinolin-1-ium

C13H16N+ — CID 2732906

IUPAC1-methyl-6-propan-2-ylquinolin-1-ium
SMILESCC(C)c1ccc2c(ccc[n+]2C)c1
InChIInChI=1S/C13H16N/c1-10(2)11-6-7-13-12(9-11)5-4-8-14(13)3/h4-10H,1-3H3/q+1
InChIKeyVMBJGSSVORFDCA-UHFFFAOYSA-N
MW186.28 g/mol
LogP2.79
Rot. Bonds1

About 1-methyl-6-propan-2-ylquinolin-1-ium

1-methyl-6-propan-2-ylquinolin-1-ium (PubChem CID 2732906) has the molecular formula C13H16N+ and a molecular weight of 186.28 g/mol. Its IUPAC name is 1-methyl-6-propan-2-ylquinolin-1-ium.

Molecular Properties

Compound Name1-methyl-6-propan-2-ylquinolin-1-ium
PubChem CID2732906
Molecular FormulaC13H16N+
Molecular Weight186.28 g/mol
Exact Mass186.13
IUPAC Name1-methyl-6-propan-2-ylquinolin-1-ium
SMILESCC(C)c1ccc2c(ccc[n+]2C)c1
InChIInChI=1S/C13H16N/c1-10(2)11-6-7-13-12(9-11)5-4-8-14(13)3/h4-10H,1-3H3/q+1
InChIKeyVMBJGSSVORFDCA-UHFFFAOYSA-N
XLogP2.79
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-methyl-6-propan-2-ylquinolin-1-ium 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 1-methyl-6-propan-2-ylquinolin-1-ium?
The IUPAC name of 1-methyl-6-propan-2-ylquinolin-1-ium (CID 2732906) is 1-methyl-6-propan-2-ylquinolin-1-ium.
What is the SMILES notation for 1-methyl-6-propan-2-ylquinolin-1-ium?
The canonical SMILES for 1-methyl-6-propan-2-ylquinolin-1-ium is CC(C)c1ccc2c(ccc[n+]2C)c1.
What is the InChIKey of 1-methyl-6-propan-2-ylquinolin-1-ium?
The InChIKey is VMBJGSSVORFDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N/c1-10(2)11-6-7-13-12(9-11)5-4-8-14(13)3/h4-10H,1-3H3/q+1.
What are the key properties of 1-methyl-6-propan-2-ylquinolin-1-ium?
1-methyl-6-propan-2-ylquinolin-1-ium has a molecular weight of 186.28 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-propan-2-ylquinolin-1-ium is sourced from PubChem (CID 2732906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).