6,7-dimethoxy-1,2,3-trimethylquinoxalin-1-ium iodide

C13H17IN2O2 — CID 21415702

IUPAC6,7-dimethoxy-1,2,3-trimethylquinoxalin-1-ium iodide
SMILESCOc1cc2nc(C)c(C)[n+](C)c2cc1OC.[I-]
InChIInChI=1S/C13H17N2O2.HI/c1-8-9(2)15(3)11-7-13(17-5)12(16-4)6-10(11)14-8;/h6-7H,1-5H3;1H/q+1;/p-1
InChIKeyPHJHTLHVWPSISX-UHFFFAOYSA-M
MW360.20 g/mol
LogP-1.30
Rot. Bonds2

About 6,7-dimethoxy-1,2,3-trimethylquinoxalin-1-ium iodide

6,7-dimethoxy-1,2,3-trimethylquinoxalin-1-ium iodide (PubChem CID 21415702) has the molecular formula C13H17IN2O2 and a molecular weight of 360.20 g/mol. Its IUPAC name is 6,7-dimethoxy-1,2,3-trimethylquinoxalin-1-ium iodide.

Molecular Properties

Compound Name6,7-dimethoxy-1,2,3-trimethylquinoxalin-1-ium iodide
PubChem CID21415702
Molecular FormulaC13H17IN2O2
Molecular Weight360.20 g/mol
Exact Mass360.03
IUPAC Name6,7-dimethoxy-1,2,3-trimethylquinoxalin-1-ium iodide
SMILESCOc1cc2nc(C)c(C)[n+](C)c2cc1OC.[I-]
InChIInChI=1S/C13H17N2O2.HI/c1-8-9(2)15(3)11-7-13(17-5)12(16-4)6-10(11)14-8;/h6-7H,1-5H3;1H/q+1;/p-1
InChIKeyPHJHTLHVWPSISX-UHFFFAOYSA-M
XLogP-1.30
TPSA35.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 5-1.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-6,7-dimethoxy-2-methylquinoline
CID 174844835
6,7-dimethoxy-4-methylquinazoline
CID 4319422
2,3,6,7-tetramethoxy-9-methylacridine
CID 46187785
6,7-dimethoxy-1,2-dimethyl-4-methylsulfanylquinazolin-1-ium
CID 134125083
6,7-dimethoxy-2,4-dimethylquinazoline;ethane
CID 163274874
methane;4,6,7-trimethoxyquinoline
CID 157066291
6,7-dimethoxy-2,3,5-trimethylquinoxaline;ethane
CID 142406263
8,9-dimethoxy-6-methylphenanthridine
CID 135040288
3-(6,7-dimethoxyquinolin-4-yl)oxy-2-methyl-1,6-naphthyridine
CID 23078530
3-(6,7-dimethoxyquinolin-4-yl)oxy-2-methyl-1,7-naphthyridine
CID 23156614
2-chloro-6,7-dimethoxy-3-methylquinoline
CID 18524412
5,6-dimethoxy-2-methyl-1,3-benzothiazole;hydrate
CID 51056765

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1,2,3-trimethylquinoxalin-1-ium iodide?
The IUPAC name of 6,7-dimethoxy-1,2,3-trimethylquinoxalin-1-ium iodide (CID 21415702) is 6,7-dimethoxy-1,2,3-trimethylquinoxalin-1-ium iodide.
What is the SMILES notation for 6,7-dimethoxy-1,2,3-trimethylquinoxalin-1-ium iodide?
The canonical SMILES for 6,7-dimethoxy-1,2,3-trimethylquinoxalin-1-ium iodide is COc1cc2nc(C)c(C)[n+](C)c2cc1OC.[I-].
What is the InChIKey of 6,7-dimethoxy-1,2,3-trimethylquinoxalin-1-ium iodide?
The InChIKey is PHJHTLHVWPSISX-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H17N2O2.HI/c1-8-9(2)15(3)11-7-13(17-5)12(16-4)6-10(11)14-8;/h6-7H,1-5H3;1H/q+1;/p-1.
What are the key properties of 6,7-dimethoxy-1,2,3-trimethylquinoxalin-1-ium iodide?
6,7-dimethoxy-1,2,3-trimethylquinoxalin-1-ium iodide has a molecular weight of 360.20 g/mol, XLogP of -1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1,2,3-trimethylquinoxalin-1-ium iodide is sourced from PubChem (CID 21415702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).