7-methoxy-4,5-dimethylpyrrolo[1,2-a]quinoxalin-5-ium

C14H15N2O+ — CID 164615131

IUPAC7-methoxy-4,5-dimethylpyrrolo[1,2-a]quinoxalin-5-ium
SMILESCOc1ccc2c(c1)[n+](C)c(C)c1cccn12
InChIInChI=1S/C14H15N2O/c1-10-12-5-4-8-16(12)13-7-6-11(17-3)9-14(13)15(10)2/h4-9H,1-3H3/q+1
InChIKeyBKWYLDJYZZJYGG-UHFFFAOYSA-N
MW227.29 g/mol
LogP2.23
Rot. Bonds1

About 7-methoxy-4,5-dimethylpyrrolo[1,2-a]quinoxalin-5-ium

7-methoxy-4,5-dimethylpyrrolo[1,2-a]quinoxalin-5-ium (PubChem CID 164615131) has the molecular formula C14H15N2O+ and a molecular weight of 227.29 g/mol. Its IUPAC name is 7-methoxy-4,5-dimethylpyrrolo[1,2-a]quinoxalin-5-ium.

Molecular Properties

Compound Name7-methoxy-4,5-dimethylpyrrolo[1,2-a]quinoxalin-5-ium
PubChem CID164615131
Molecular FormulaC14H15N2O+
Molecular Weight227.29 g/mol
Exact Mass227.12
IUPAC Name7-methoxy-4,5-dimethylpyrrolo[1,2-a]quinoxalin-5-ium
SMILESCOc1ccc2c(c1)[n+](C)c(C)c1cccn12
InChIInChI=1S/C14H15N2O/c1-10-12-5-4-8-16(12)13-7-6-11(17-3)9-14(13)15(10)2/h4-9H,1-3H3/q+1
InChIKeyBKWYLDJYZZJYGG-UHFFFAOYSA-N
XLogP2.23
TPSA17.52 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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8-methoxy-5H-pyrrolo[1,2-a]quinoxalin-4-one
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5-(4-methoxyphenyl)-4-(4-methylphenyl)pyrrolo[1,2-a]quinoline
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CID 153134341
7-methoxy-4-(4-phenylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline
CID 19978066
6-methoxy-2,3-dimethyl-1,3-benzothiazol-3-ium iodide
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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4,5-dimethylpyrrolo[1,2-a]quinoxalin-5-ium?
The IUPAC name of 7-methoxy-4,5-dimethylpyrrolo[1,2-a]quinoxalin-5-ium (CID 164615131) is 7-methoxy-4,5-dimethylpyrrolo[1,2-a]quinoxalin-5-ium.
What is the SMILES notation for 7-methoxy-4,5-dimethylpyrrolo[1,2-a]quinoxalin-5-ium?
The canonical SMILES for 7-methoxy-4,5-dimethylpyrrolo[1,2-a]quinoxalin-5-ium is COc1ccc2c(c1)[n+](C)c(C)c1cccn12.
What is the InChIKey of 7-methoxy-4,5-dimethylpyrrolo[1,2-a]quinoxalin-5-ium?
The InChIKey is BKWYLDJYZZJYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N2O/c1-10-12-5-4-8-16(12)13-7-6-11(17-3)9-14(13)15(10)2/h4-9H,1-3H3/q+1.
What are the key properties of 7-methoxy-4,5-dimethylpyrrolo[1,2-a]quinoxalin-5-ium?
7-methoxy-4,5-dimethylpyrrolo[1,2-a]quinoxalin-5-ium has a molecular weight of 227.29 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4,5-dimethylpyrrolo[1,2-a]quinoxalin-5-ium is sourced from PubChem (CID 164615131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).