6-tert-butylimidazo[2,1-a]isoquinoline

C15H16N2 — CID 58518039

IUPAC6-tert-butylimidazo[2,1-a]isoquinoline
SMILESCC(C)(C)c1cn2ccnc2c2ccccc12
InChIInChI=1S/C15H16N2/c1-15(2,3)13-10-17-9-8-16-14(17)12-7-5-4-6-11(12)13/h4-10H,1-3H3
InChIKeyUTKHNGDCPJSWQE-UHFFFAOYSA-N
MW224.31 g/mol
LogP3.79
Rot. Bonds

About 6-tert-butylimidazo[2,1-a]isoquinoline

6-tert-butylimidazo[2,1-a]isoquinoline (PubChem CID 58518039) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 6-tert-butylimidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name6-tert-butylimidazo[2,1-a]isoquinoline
PubChem CID58518039
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name6-tert-butylimidazo[2,1-a]isoquinoline
SMILESCC(C)(C)c1cn2ccnc2c2ccccc12
InChIInChI=1S/C15H16N2/c1-15(2,3)13-10-17-9-8-16-14(17)12-7-5-4-6-11(12)13/h4-10H,1-3H3
InChIKeyUTKHNGDCPJSWQE-UHFFFAOYSA-N
XLogP3.79
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-phenylimidazo[2,1-a]isoquinoline
CID 58517625
hydron;imidazo[1,2-c]quinazoline
CID 174874267
6,8-ditert-butylimidazo[1,2-a]pyrazine
CID 139576322
7-chloroimidazo[2,1-a]isoquinoline
CID 58517958
6-(4-tert-butylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 90178680
6-(2-methylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 90178615
N-tert-butylimidazo[1,2-a]pyridin-8-amine
CID 139390352
2-(4-tert-butylnaphthalen-1-yl)pyridine
CID 171748905
8-N-(2,2-dimethylpropyl)-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80798027
6-fluoro-7-isocyanoimidazo[2,1-a]isoquinoline
CID 58517685
bis(4-tert-butylquinoline);ethane;methane
CID 158221775
4-tert-butyl-1-propan-2-ylisoquinoline
CID 170136172

Frequently Asked Questions

What is the IUPAC name of 6-tert-butylimidazo[2,1-a]isoquinoline?
The IUPAC name of 6-tert-butylimidazo[2,1-a]isoquinoline (CID 58518039) is 6-tert-butylimidazo[2,1-a]isoquinoline.
What is the SMILES notation for 6-tert-butylimidazo[2,1-a]isoquinoline?
The canonical SMILES for 6-tert-butylimidazo[2,1-a]isoquinoline is CC(C)(C)c1cn2ccnc2c2ccccc12.
What is the InChIKey of 6-tert-butylimidazo[2,1-a]isoquinoline?
The InChIKey is UTKHNGDCPJSWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c1-15(2,3)13-10-17-9-8-16-14(17)12-7-5-4-6-11(12)13/h4-10H,1-3H3.
What are the key properties of 6-tert-butylimidazo[2,1-a]isoquinoline?
6-tert-butylimidazo[2,1-a]isoquinoline has a molecular weight of 224.31 g/mol, XLogP of 3.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylimidazo[2,1-a]isoquinoline is sourced from PubChem (CID 58518039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).