8,9-dimethoxyimidazo[2,1-a]isoquinoline

C13H12N2O2 — CID 132567007

IUPAC8,9-dimethoxyimidazo[2,1-a]isoquinoline
SMILESCOc1cc2ccn3ccnc3c2cc1OC
InChIInChI=1S/C13H12N2O2/c1-16-11-7-9-3-5-15-6-4-14-13(15)10(9)8-12(11)17-2/h3-8H,1-2H3
InChIKeyVHCXDCRFPSLLQZ-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.50
Rot. Bonds2

About 8,9-dimethoxyimidazo[2,1-a]isoquinoline

8,9-dimethoxyimidazo[2,1-a]isoquinoline (PubChem CID 132567007) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 8,9-dimethoxyimidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name8,9-dimethoxyimidazo[2,1-a]isoquinoline
PubChem CID132567007
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name8,9-dimethoxyimidazo[2,1-a]isoquinoline
SMILESCOc1cc2ccn3ccnc3c2cc1OC
InChIInChI=1S/C13H12N2O2/c1-16-11-7-9-3-5-15-6-4-14-13(15)10(9)8-12(11)17-2/h3-8H,1-2H3
InChIKeyVHCXDCRFPSLLQZ-UHFFFAOYSA-N
XLogP2.50
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

imidazo[2,1-a]isoquinolin-8-yl(trimethyl)silane
CID 58517874
6,7-dimethoxy-1-methylisoquinoline
CID 20725
6,7-dimethoxy-1-(4-methylphenyl)isoquinoline
CID 46915406
6,7-dimethoxy-1-(4-methoxyphenyl)isoquinoline
CID 50923051
1-(6,7-dimethoxyisoquinolin-1-yl)-6,7-dimethoxyisoquinoline;1H-imidazole
CID 118421351
2-(6,7-dimethoxyisoquinolin-1-yl)ethanol
CID 116995192
1-(6,7-dimethoxyisoquinolin-1-yl)-N-methylmethanamine
CID 116995176
6,7-dimethoxy-N-(1-methylpyrazol-3-yl)isoquinolin-1-amine
CID 106539080
18,19-dimethoxy-3,13-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,3,5,7,9,11,14,16,18,20-decaene
CID 14934408
(6,7-dimethoxyisoquinolin-1-yl)hydrazine
CID 103840464
2-(6,7-dimethoxyisoquinolin-1-yl)propan-2-amine
CID 116995177
8-(2-methoxy-4-methylphenoxy)imidazo[1,2-a]pyrazin-6-amine
CID 80880981

Frequently Asked Questions

What is the IUPAC name of 8,9-dimethoxyimidazo[2,1-a]isoquinoline?
The IUPAC name of 8,9-dimethoxyimidazo[2,1-a]isoquinoline (CID 132567007) is 8,9-dimethoxyimidazo[2,1-a]isoquinoline.
What is the SMILES notation for 8,9-dimethoxyimidazo[2,1-a]isoquinoline?
The canonical SMILES for 8,9-dimethoxyimidazo[2,1-a]isoquinoline is COc1cc2ccn3ccnc3c2cc1OC.
What is the InChIKey of 8,9-dimethoxyimidazo[2,1-a]isoquinoline?
The InChIKey is VHCXDCRFPSLLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-16-11-7-9-3-5-15-6-4-14-13(15)10(9)8-12(11)17-2/h3-8H,1-2H3.
What are the key properties of 8,9-dimethoxyimidazo[2,1-a]isoquinoline?
8,9-dimethoxyimidazo[2,1-a]isoquinoline has a molecular weight of 228.25 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxyimidazo[2,1-a]isoquinoline is sourced from PubChem (CID 132567007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).