2,5-dimethylimidazo[2,1-a]isoquinoline

C13H12N2 — CID 15103602

IUPAC2,5-dimethylimidazo[2,1-a]isoquinoline
SMILESCc1cn2c(C)cc3ccccc3c2n1
InChIInChI=1S/C13H12N2/c1-9-8-15-10(2)7-11-5-3-4-6-12(11)13(15)14-9/h3-8H,1-2H3
InChIKeySQJXHYKMZWCECC-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.10
Rot. Bonds

About 2,5-dimethylimidazo[2,1-a]isoquinoline

2,5-dimethylimidazo[2,1-a]isoquinoline (PubChem CID 15103602) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2,5-dimethylimidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name2,5-dimethylimidazo[2,1-a]isoquinoline
PubChem CID15103602
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name2,5-dimethylimidazo[2,1-a]isoquinoline
SMILESCc1cn2c(C)cc3ccccc3c2n1
InChIInChI=1S/C13H12N2/c1-9-8-15-10(2)7-11-5-3-4-6-12(11)13(15)14-9/h3-8H,1-2H3
InChIKeySQJXHYKMZWCECC-UHFFFAOYSA-N
XLogP3.10
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5,7-trimethylimidazo[1,2-f]phenanthridine
CID 59358884
5,7-dimethoxy-2-methylimidazo[1,2-f]phenanthridine
CID 59358197
2,3,4-trimethylpyrimido[2,1-a]isoindole
CID 23265241
2,4-dimethylpyrimido[1,2-b]indazole
CID 2320560
5-tert-butyl-2-[2-(5-tert-butylimidazo[2,1-a]isoquinolin-2-yl)phenyl]imidazo[2,1-a]isoquinoline
CID 58517561
5,7-dimethyl-2-naphthalen-1-ylimidazo[1,2-a]pyrimidine
CID 115281809
1-methoxy-3-methylisoquinoline
CID 66489764
2,4,10-trimethylpyrimido[1,2-a]indole
CID 23517333
2,3-dimethylisoquinolin-1-one;ethane
CID 91490725
1-methyl-3-(4-methylnaphthalen-2-yl)naphthalene
CID 58049667
2-methyl-9-(5-methylfuran-2-yl)imidazo[1,2-f]phenanthridine
CID 59358545
7-methyl-2-[2-(7-methylimidazo[1,2-f]phenanthridin-2-yl)ethyl]imidazo[1,2-f]phenanthridine
CID 58202783

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylimidazo[2,1-a]isoquinoline?
The IUPAC name of 2,5-dimethylimidazo[2,1-a]isoquinoline (CID 15103602) is 2,5-dimethylimidazo[2,1-a]isoquinoline.
What is the SMILES notation for 2,5-dimethylimidazo[2,1-a]isoquinoline?
The canonical SMILES for 2,5-dimethylimidazo[2,1-a]isoquinoline is Cc1cn2c(C)cc3ccccc3c2n1.
What is the InChIKey of 2,5-dimethylimidazo[2,1-a]isoquinoline?
The InChIKey is SQJXHYKMZWCECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c1-9-8-15-10(2)7-11-5-3-4-6-12(11)13(15)14-9/h3-8H,1-2H3.
What are the key properties of 2,5-dimethylimidazo[2,1-a]isoquinoline?
2,5-dimethylimidazo[2,1-a]isoquinoline has a molecular weight of 196.25 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylimidazo[2,1-a]isoquinoline is sourced from PubChem (CID 15103602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).