6-methoxy-1-propylquinolin-1-ium

C13H16NO+ — CID 782024

IUPAC6-methoxy-1-propylquinolin-1-ium
SMILESCCC[n+]1cccc2cc(OC)ccc21
InChIInChI=1S/C13H16NO/c1-3-8-14-9-4-5-11-10-12(15-2)6-7-13(11)14/h4-7,9-10H,3,8H2,1-2H3/q+1
InChIKeyGBGIIBXKVBZVJE-UHFFFAOYSA-N
MW202.28 g/mol
LogP2.55
Rot. Bonds3

About 6-methoxy-1-propylquinolin-1-ium

6-methoxy-1-propylquinolin-1-ium (PubChem CID 782024) has the molecular formula C13H16NO+ and a molecular weight of 202.28 g/mol. Its IUPAC name is 6-methoxy-1-propylquinolin-1-ium.

Molecular Properties

Compound Name6-methoxy-1-propylquinolin-1-ium
PubChem CID782024
Molecular FormulaC13H16NO+
Molecular Weight202.28 g/mol
Exact Mass202.12
IUPAC Name6-methoxy-1-propylquinolin-1-ium
SMILESCCC[n+]1cccc2cc(OC)ccc21
InChIInChI=1S/C13H16NO/c1-3-8-14-9-4-5-11-10-12(15-2)6-7-13(11)14/h4-7,9-10H,3,8H2,1-2H3/q+1
InChIKeyGBGIIBXKVBZVJE-UHFFFAOYSA-N
XLogP2.55
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 52.55
H-Bond Donors ≤ 50
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 6-methoxy-1-propylquinolin-1-ium?
The IUPAC name of 6-methoxy-1-propylquinolin-1-ium (CID 782024) is 6-methoxy-1-propylquinolin-1-ium.
What is the SMILES notation for 6-methoxy-1-propylquinolin-1-ium?
The canonical SMILES for 6-methoxy-1-propylquinolin-1-ium is CCC[n+]1cccc2cc(OC)ccc21.
What is the InChIKey of 6-methoxy-1-propylquinolin-1-ium?
The InChIKey is GBGIIBXKVBZVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16NO/c1-3-8-14-9-4-5-11-10-12(15-2)6-7-13(11)14/h4-7,9-10H,3,8H2,1-2H3/q+1.
What are the key properties of 6-methoxy-1-propylquinolin-1-ium?
6-methoxy-1-propylquinolin-1-ium has a molecular weight of 202.28 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-propylquinolin-1-ium is sourced from PubChem (CID 782024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).