8-methylimidazo[2,1-a]isoquinoline-2-carboxylic acid

C13H10N2O2 — CID 115035431

IUPAC8-methylimidazo[2,1-a]isoquinoline-2-carboxylic acid
SMILESCc1ccc2c(ccn3cc(C(=O)O)nc23)c1
InChIInChI=1S/C13H10N2O2/c1-8-2-3-10-9(6-8)4-5-15-7-11(13(16)17)14-12(10)15/h2-7H,1H3,(H,16,17)
InChIKeyXILAJYSAURYEKK-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.49
Rot. Bonds1

About 8-methylimidazo[2,1-a]isoquinoline-2-carboxylic acid

8-methylimidazo[2,1-a]isoquinoline-2-carboxylic acid (PubChem CID 115035431) has the molecular formula C13H10N2O2 and a molecular weight of 226.23 g/mol. Its IUPAC name is 8-methylimidazo[2,1-a]isoquinoline-2-carboxylic acid.

Molecular Properties

Compound Name8-methylimidazo[2,1-a]isoquinoline-2-carboxylic acid
PubChem CID115035431
Molecular FormulaC13H10N2O2
Molecular Weight226.23 g/mol
Exact Mass226.07
IUPAC Name8-methylimidazo[2,1-a]isoquinoline-2-carboxylic acid
SMILESCc1ccc2c(ccn3cc(C(=O)O)nc23)c1
InChIInChI=1S/C13H10N2O2/c1-8-2-3-10-9(6-8)4-5-15-7-11(13(16)17)14-12(10)15/h2-7H,1H3,(H,16,17)
InChIKeyXILAJYSAURYEKK-UHFFFAOYSA-N
XLogP2.49
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-chloroimidazo[2,1-a]isoquinoline-2-carboxylic acid
CID 115045910
10-hydroxyimidazo[2,1-a]isoquinoline-2-carboxylic acid
CID 136999661
8-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 130064867
imidazo[1,2-a]pyridine-2,7-dicarboxylic acid
CID 19701499
7-methylquinoline-2,4-dicarboxylic acid
CID 121010351
1-bromo-7-methylisoquinoline-3-carboxylic acid
CID 165441671
8-(4-methoxyphenyl)imidazo[1,2-a]pyrazine-2-carboxylic acid
CID 90487994
1-(2,5-dimethylphenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid
CID 94946695
1-amino-6-methylnaphthalene-2-carboxylic acid
CID 115022209
8-(propan-2-ylamino)imidazo[1,2-a]pyrazine-2-carboxylic acid
CID 84685605
N-[(2S)-butan-2-yl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 34674868
2-(4-chlorophenyl)-1-(2,4-dimethylphenyl)imidazole-4-carboxylic acid
CID 82212267

Frequently Asked Questions

What is the IUPAC name of 8-methylimidazo[2,1-a]isoquinoline-2-carboxylic acid?
The IUPAC name of 8-methylimidazo[2,1-a]isoquinoline-2-carboxylic acid (CID 115035431) is 8-methylimidazo[2,1-a]isoquinoline-2-carboxylic acid.
What is the SMILES notation for 8-methylimidazo[2,1-a]isoquinoline-2-carboxylic acid?
The canonical SMILES for 8-methylimidazo[2,1-a]isoquinoline-2-carboxylic acid is Cc1ccc2c(ccn3cc(C(=O)O)nc23)c1.
What is the InChIKey of 8-methylimidazo[2,1-a]isoquinoline-2-carboxylic acid?
The InChIKey is XILAJYSAURYEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c1-8-2-3-10-9(6-8)4-5-15-7-11(13(16)17)14-12(10)15/h2-7H,1H3,(H,16,17).
What are the key properties of 8-methylimidazo[2,1-a]isoquinoline-2-carboxylic acid?
8-methylimidazo[2,1-a]isoquinoline-2-carboxylic acid has a molecular weight of 226.23 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylimidazo[2,1-a]isoquinoline-2-carboxylic acid is sourced from PubChem (CID 115035431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).