1,10-dimethylimidazo[2,1-a]isoquinolin-1-ium

C13H13N2+ — CID 90684791

IUPAC1,10-dimethylimidazo[2,1-a]isoquinolin-1-ium
SMILESCc1cccc2ccn3cc[n+](C)c3c12
InChIInChI=1S/C13H13N2/c1-10-4-3-5-11-6-7-15-9-8-14(2)13(15)12(10)11/h3-9H,1-2H3/q+1
InChIKeyCKAGSHXHTGOBOD-UHFFFAOYSA-N
MW197.26 g/mol
LogP2.23
Rot. Bonds

About 1,10-dimethylimidazo[2,1-a]isoquinolin-1-ium

1,10-dimethylimidazo[2,1-a]isoquinolin-1-ium (PubChem CID 90684791) has the molecular formula C13H13N2+ and a molecular weight of 197.26 g/mol. Its IUPAC name is 1,10-dimethylimidazo[2,1-a]isoquinolin-1-ium.

Molecular Properties

Compound Name1,10-dimethylimidazo[2,1-a]isoquinolin-1-ium
PubChem CID90684791
Molecular FormulaC13H13N2+
Molecular Weight197.26 g/mol
Exact Mass197.11
IUPAC Name1,10-dimethylimidazo[2,1-a]isoquinolin-1-ium
SMILESCc1cccc2ccn3cc[n+](C)c3c12
InChIInChI=1S/C13H13N2/c1-10-4-3-5-11-6-7-15-9-8-14(2)13(15)12(10)11/h3-9H,1-2H3/q+1
InChIKeyCKAGSHXHTGOBOD-UHFFFAOYSA-N
XLogP2.23
TPSA8.29 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,10-dimethylimidazo[2,1-a]isoquinolin-1-ium?
The IUPAC name of 1,10-dimethylimidazo[2,1-a]isoquinolin-1-ium (CID 90684791) is 1,10-dimethylimidazo[2,1-a]isoquinolin-1-ium.
What is the SMILES notation for 1,10-dimethylimidazo[2,1-a]isoquinolin-1-ium?
The canonical SMILES for 1,10-dimethylimidazo[2,1-a]isoquinolin-1-ium is Cc1cccc2ccn3cc[n+](C)c3c12.
What is the InChIKey of 1,10-dimethylimidazo[2,1-a]isoquinolin-1-ium?
The InChIKey is CKAGSHXHTGOBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N2/c1-10-4-3-5-11-6-7-15-9-8-14(2)13(15)12(10)11/h3-9H,1-2H3/q+1.
What are the key properties of 1,10-dimethylimidazo[2,1-a]isoquinolin-1-ium?
1,10-dimethylimidazo[2,1-a]isoquinolin-1-ium has a molecular weight of 197.26 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-dimethylimidazo[2,1-a]isoquinolin-1-ium is sourced from PubChem (CID 90684791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).