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

C13H15IN2O2 — CID 138401708

IUPAC1-(1,2-dimethylquinolin-1-ium-8-yl)oxy-N-methylmethanimidate;hydroiodide
SMILESC/N=C(\[O-])Oc1cccc2ccc(C)[n+](C)c12.I
InChIInChI=1S/C13H14N2O2.HI/c1-9-7-8-10-5-4-6-11(12(10)15(9)3)17-13(16)14-2;/h4-8H,1-3H3;1H
InChIKeyPHJZSBPCWHFHQU-UHFFFAOYSA-N
MW358.18 g/mol
LogP1.32
Rot. Bonds1

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

1-(1,2-dimethylquinolin-1-ium-8-yl)oxy-N-methylmethanimidate;hydroiodide (PubChem CID 138401708) has the molecular formula C13H15IN2O2 and a molecular weight of 358.18 g/mol. Its IUPAC name is 1-(1,2-dimethylquinolin-1-ium-8-yl)oxy-N-methylmethanimidate;hydroiodide.

Molecular Properties

Compound Name1-(1,2-dimethylquinolin-1-ium-8-yl)oxy-N-methylmethanimidate;hydroiodide
PubChem CID138401708
Molecular FormulaC13H15IN2O2
Molecular Weight358.18 g/mol
Exact Mass358.02
IUPAC Name1-(1,2-dimethylquinolin-1-ium-8-yl)oxy-N-methylmethanimidate;hydroiodide
SMILESC/N=C(\[O-])Oc1cccc2ccc(C)[n+](C)c12.I
InChIInChI=1S/C13H14N2O2.HI/c1-9-7-8-10-5-4-6-11(12(10)15(9)3)17-13(16)14-2;/h4-8H,1-3H3;1H
InChIKeyPHJZSBPCWHFHQU-UHFFFAOYSA-N
XLogP1.32
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.18
LogP ≤ 51.32
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-methylmethanimidate;hydroiodide?
The IUPAC name of 1-(1,2-dimethylquinolin-1-ium-8-yl)oxy-N-methylmethanimidate;hydroiodide (CID 138401708) is 1-(1,2-dimethylquinolin-1-ium-8-yl)oxy-N-methylmethanimidate;hydroiodide.
What is the SMILES notation for 1-(1,2-dimethylquinolin-1-ium-8-yl)oxy-N-methylmethanimidate;hydroiodide?
The canonical SMILES for 1-(1,2-dimethylquinolin-1-ium-8-yl)oxy-N-methylmethanimidate;hydroiodide is C/N=C(\[O-])Oc1cccc2ccc(C)[n+](C)c12.I.
What is the InChIKey of 1-(1,2-dimethylquinolin-1-ium-8-yl)oxy-N-methylmethanimidate;hydroiodide?
The InChIKey is PHJZSBPCWHFHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2.HI/c1-9-7-8-10-5-4-6-11(12(10)15(9)3)17-13(16)14-2;/h4-8H,1-3H3;1H.
What are the key properties of 1-(1,2-dimethylquinolin-1-ium-8-yl)oxy-N-methylmethanimidate;hydroiodide?
1-(1,2-dimethylquinolin-1-ium-8-yl)oxy-N-methylmethanimidate;hydroiodide has a molecular weight of 358.18 g/mol, XLogP of 1.32, 1 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-methylmethanimidate;hydroiodide is sourced from PubChem (CID 138401708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).