3-pyridin-2-ylimidazo[2,1-a]isoquinoline

C16H11N3 — CID 58517592

IUPAC3-pyridin-2-ylimidazo[2,1-a]isoquinoline
SMILESc1ccc(-c2cnc3c4ccccc4ccn23)nc1
InChIInChI=1S/C16H11N3/c1-2-6-13-12(5-1)8-10-19-15(11-18-16(13)19)14-7-3-4-9-17-14/h1-11H
InChIKeyVSTUYIWSDPNFDE-UHFFFAOYSA-N
MW245.29 g/mol
LogP3.55
Rot. Bonds1

About 3-pyridin-2-ylimidazo[2,1-a]isoquinoline

3-pyridin-2-ylimidazo[2,1-a]isoquinoline (PubChem CID 58517592) has the molecular formula C16H11N3 and a molecular weight of 245.29 g/mol. Its IUPAC name is 3-pyridin-2-ylimidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name3-pyridin-2-ylimidazo[2,1-a]isoquinoline
PubChem CID58517592
Molecular FormulaC16H11N3
Molecular Weight245.29 g/mol
Exact Mass245.10
IUPAC Name3-pyridin-2-ylimidazo[2,1-a]isoquinoline
SMILESc1ccc(-c2cnc3c4ccccc4ccn23)nc1
InChIInChI=1S/C16H11N3/c1-2-6-13-12(5-1)8-10-19-15(11-18-16(13)19)14-7-3-4-9-17-14/h1-11H
InChIKeyVSTUYIWSDPNFDE-UHFFFAOYSA-N
XLogP3.55
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-dimethylpropyl)imidazo[2,1-a]isoquinoline
CID 58517919
3,8-dipyridin-4-ylimidazo[2,1-a]isoquinoline
CID 58517426
3-naphthalen-2-yl-N-(2-pyridin-2-ylethyl)imidazo[1,2-a]pyrazin-8-amine
CID 126474513
3-methyl-2-phenylimidazo[2,1-a]isoquinoline
CID 757851
3-methyl-2-pyridin-2-ylbenzo[e]benzimidazole;hydrochloride
CID 14011825
7-methyl-3-pyridin-2-ylimidazo[1,5-a]pyridine
CID 117144416
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-ylimidazo[2,1-a]isoquinoline?
The IUPAC name of 3-pyridin-2-ylimidazo[2,1-a]isoquinoline (CID 58517592) is 3-pyridin-2-ylimidazo[2,1-a]isoquinoline.
What is the SMILES notation for 3-pyridin-2-ylimidazo[2,1-a]isoquinoline?
The canonical SMILES for 3-pyridin-2-ylimidazo[2,1-a]isoquinoline is c1ccc(-c2cnc3c4ccccc4ccn23)nc1.
What is the InChIKey of 3-pyridin-2-ylimidazo[2,1-a]isoquinoline?
The InChIKey is VSTUYIWSDPNFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3/c1-2-6-13-12(5-1)8-10-19-15(11-18-16(13)19)14-7-3-4-9-17-14/h1-11H.
What are the key properties of 3-pyridin-2-ylimidazo[2,1-a]isoquinoline?
3-pyridin-2-ylimidazo[2,1-a]isoquinoline has a molecular weight of 245.29 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-ylimidazo[2,1-a]isoquinoline is sourced from PubChem (CID 58517592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).