4,5,7-trimethylpyrrolo[1,2-a]quinoxalin-5-ium iodide

C14H15IN2 — CID 164618158

IUPAC4,5,7-trimethylpyrrolo[1,2-a]quinoxalin-5-ium iodide
SMILESCc1ccc2c(c1)[n+](C)c(C)c1cccn12.[I-]
InChIInChI=1S/C14H15N2.HI/c1-10-6-7-13-14(9-10)15(3)11(2)12-5-4-8-16(12)13;/h4-9H,1-3H3;1H/q+1;/p-1
InChIKeyBNEOJHSKVRSJGX-UHFFFAOYSA-M
MW338.19 g/mol
LogP-0.46
Rot. Bonds

About 4,5,7-trimethylpyrrolo[1,2-a]quinoxalin-5-ium iodide

4,5,7-trimethylpyrrolo[1,2-a]quinoxalin-5-ium iodide (PubChem CID 164618158) has the molecular formula C14H15IN2 and a molecular weight of 338.19 g/mol. Its IUPAC name is 4,5,7-trimethylpyrrolo[1,2-a]quinoxalin-5-ium iodide.

Molecular Properties

Compound Name4,5,7-trimethylpyrrolo[1,2-a]quinoxalin-5-ium iodide
PubChem CID164618158
Molecular FormulaC14H15IN2
Molecular Weight338.19 g/mol
Exact Mass338.03
IUPAC Name4,5,7-trimethylpyrrolo[1,2-a]quinoxalin-5-ium iodide
SMILESCc1ccc2c(c1)[n+](C)c(C)c1cccn12.[I-]
InChIInChI=1S/C14H15N2.HI/c1-10-6-7-13-14(9-10)15(3)11(2)12-5-4-8-16(12)13;/h4-9H,1-3H3;1H/q+1;/p-1
InChIKeyBNEOJHSKVRSJGX-UHFFFAOYSA-M
XLogP-0.46
TPSA8.29 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 5-0.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

5-Methylquinoxaline
CID 61670
8-Aminoquinoline
CID 11359
2-Methylquinoxaline
CID 23686
6-Methylquinoxaline
CID 242567
CGS 12066B-parent
CID 2689
AG1295
CID 2048
1H-Indole, 7-(1-piperazinyl)-
CID 3069502
3-(2-Quinoxalinyl)aniline
CID 807264
8-Quinolinamine, 4-methyl-
CID 97374
4-(Quinoxalin-2-yl)aniline
CID 761862
8-Quinolinamine, 7-methyl-
CID 231556
6,7-Dimethylquinoxaline
CID 247669

Frequently Asked Questions

What is the IUPAC name of 4,5,7-trimethylpyrrolo[1,2-a]quinoxalin-5-ium iodide?
The IUPAC name of 4,5,7-trimethylpyrrolo[1,2-a]quinoxalin-5-ium iodide (CID 164618158) is 4,5,7-trimethylpyrrolo[1,2-a]quinoxalin-5-ium iodide.
What is the SMILES notation for 4,5,7-trimethylpyrrolo[1,2-a]quinoxalin-5-ium iodide?
The canonical SMILES for 4,5,7-trimethylpyrrolo[1,2-a]quinoxalin-5-ium iodide is Cc1ccc2c(c1)[n+](C)c(C)c1cccn12.[I-].
What is the InChIKey of 4,5,7-trimethylpyrrolo[1,2-a]quinoxalin-5-ium iodide?
The InChIKey is BNEOJHSKVRSJGX-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H15N2.HI/c1-10-6-7-13-14(9-10)15(3)11(2)12-5-4-8-16(12)13;/h4-9H,1-3H3;1H/q+1;/p-1.
What are the key properties of 4,5,7-trimethylpyrrolo[1,2-a]quinoxalin-5-ium iodide?
4,5,7-trimethylpyrrolo[1,2-a]quinoxalin-5-ium iodide has a molecular weight of 338.19 g/mol, XLogP of -0.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,7-trimethylpyrrolo[1,2-a]quinoxalin-5-ium iodide is sourced from PubChem (CID 164618158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).