1-(1,2-dimethylquinolin-1-ium-8-yl)oxy-N-propylmethanimidate;hydroiodide

C15H19IN2O2 — CID 138401712

IUPAC1-(1,2-dimethylquinolin-1-ium-8-yl)oxy-N-propylmethanimidate;hydroiodide
SMILESCCC/N=C(\[O-])Oc1cccc2ccc(C)[n+](C)c12.I
InChIInChI=1S/C15H18N2O2.HI/c1-4-10-16-15(18)19-13-7-5-6-12-9-8-11(2)17(3)14(12)13;/h5-9H,4,10H2,1-3H3;1H
InChIKeyUFQONYJMCBVGEK-UHFFFAOYSA-N
MW386.23 g/mol
LogP2.10
Rot. Bonds3

About 1-(1,2-dimethylquinolin-1-ium-8-yl)oxy-N-propylmethanimidate;hydroiodide

1-(1,2-dimethylquinolin-1-ium-8-yl)oxy-N-propylmethanimidate;hydroiodide (PubChem CID 138401712) has the molecular formula C15H19IN2O2 and a molecular weight of 386.23 g/mol. Its IUPAC name is 1-(1,2-dimethylquinolin-1-ium-8-yl)oxy-N-propylmethanimidate;hydroiodide.

Molecular Properties

Compound Name1-(1,2-dimethylquinolin-1-ium-8-yl)oxy-N-propylmethanimidate;hydroiodide
PubChem CID138401712
Molecular FormulaC15H19IN2O2
Molecular Weight386.23 g/mol
Exact Mass386.05
IUPAC Name1-(1,2-dimethylquinolin-1-ium-8-yl)oxy-N-propylmethanimidate;hydroiodide
SMILESCCC/N=C(\[O-])Oc1cccc2ccc(C)[n+](C)c12.I
InChIInChI=1S/C15H18N2O2.HI/c1-4-10-16-15(18)19-13-7-5-6-12-9-8-11(2)17(3)14(12)13;/h5-9H,4,10H2,1-3H3;1H
InChIKeyUFQONYJMCBVGEK-UHFFFAOYSA-N
XLogP2.10
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.23
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylquinolin-1-ium-8-yl)oxy-N-propylmethanimidate;hydroiodide?
The IUPAC name of 1-(1,2-dimethylquinolin-1-ium-8-yl)oxy-N-propylmethanimidate;hydroiodide (CID 138401712) is 1-(1,2-dimethylquinolin-1-ium-8-yl)oxy-N-propylmethanimidate;hydroiodide.
What is the SMILES notation for 1-(1,2-dimethylquinolin-1-ium-8-yl)oxy-N-propylmethanimidate;hydroiodide?
The canonical SMILES for 1-(1,2-dimethylquinolin-1-ium-8-yl)oxy-N-propylmethanimidate;hydroiodide is CCC/N=C(\[O-])Oc1cccc2ccc(C)[n+](C)c12.I.
What is the InChIKey of 1-(1,2-dimethylquinolin-1-ium-8-yl)oxy-N-propylmethanimidate;hydroiodide?
The InChIKey is UFQONYJMCBVGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2.HI/c1-4-10-16-15(18)19-13-7-5-6-12-9-8-11(2)17(3)14(12)13;/h5-9H,4,10H2,1-3H3;1H.
What are the key properties of 1-(1,2-dimethylquinolin-1-ium-8-yl)oxy-N-propylmethanimidate;hydroiodide?
1-(1,2-dimethylquinolin-1-ium-8-yl)oxy-N-propylmethanimidate;hydroiodide has a molecular weight of 386.23 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylquinolin-1-ium-8-yl)oxy-N-propylmethanimidate;hydroiodide is sourced from PubChem (CID 138401712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).