9-methoxyimidazo[2,1-a]isoquinoline-3-carboxylic acid

C13H10N2O3 — CID 115044613

IUPAC9-methoxyimidazo[2,1-a]isoquinoline-3-carboxylic acid
SMILESCOc1ccc2ccn3c(C(=O)O)cnc3c2c1
InChIInChI=1S/C13H10N2O3/c1-18-9-3-2-8-4-5-15-11(13(16)17)7-14-12(15)10(8)6-9/h2-7H,1H3,(H,16,17)
InChIKeyJHOPJUAFMIAVCD-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.19
Rot. Bonds2

About 9-methoxyimidazo[2,1-a]isoquinoline-3-carboxylic acid

9-methoxyimidazo[2,1-a]isoquinoline-3-carboxylic acid (PubChem CID 115044613) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 9-methoxyimidazo[2,1-a]isoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name9-methoxyimidazo[2,1-a]isoquinoline-3-carboxylic acid
PubChem CID115044613
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name9-methoxyimidazo[2,1-a]isoquinoline-3-carboxylic acid
SMILESCOc1ccc2ccn3c(C(=O)O)cnc3c2c1
InChIInChI=1S/C13H10N2O3/c1-18-9-3-2-8-4-5-15-11(13(16)17)7-14-12(15)10(8)6-9/h2-7H,1H3,(H,16,17)
InChIKeyJHOPJUAFMIAVCD-UHFFFAOYSA-N
XLogP2.19
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxybenzimidazolo[2,1-a]isoquinoline
CID 134847544
2-[(4-methoxyphenoxy)methyl]-3-methylimidazole-4-carboxylic acid
CID 117188427
1-ethyl-5-methoxypyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 90027529
2-methoxy-11-oxopyrido[2,1-b]quinazoline-7-carboxylic acid
CID 13052288
methyl 7-methoxy-1-oxoisoquinoline-2-carboxylate
CID 175088809
7-bromo-8-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 178093198
2-(3-methoxyphenoxy)-3-methylimidazole-4-carboxylic acid
CID 117190487
2-ethyl-7-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid
CID 83690690
4,7-dimethoxyisoquinoline-3-carboxylic acid
CID 22923779
8-tert-butylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 166563458
1,7-dimethoxyisoquinoline-4-carboxylic acid
CID 84696458
9-methoxy-2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-3-amine
CID 18691101

Frequently Asked Questions

What is the IUPAC name of 9-methoxyimidazo[2,1-a]isoquinoline-3-carboxylic acid?
The IUPAC name of 9-methoxyimidazo[2,1-a]isoquinoline-3-carboxylic acid (CID 115044613) is 9-methoxyimidazo[2,1-a]isoquinoline-3-carboxylic acid.
What is the SMILES notation for 9-methoxyimidazo[2,1-a]isoquinoline-3-carboxylic acid?
The canonical SMILES for 9-methoxyimidazo[2,1-a]isoquinoline-3-carboxylic acid is COc1ccc2ccn3c(C(=O)O)cnc3c2c1.
What is the InChIKey of 9-methoxyimidazo[2,1-a]isoquinoline-3-carboxylic acid?
The InChIKey is JHOPJUAFMIAVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c1-18-9-3-2-8-4-5-15-11(13(16)17)7-14-12(15)10(8)6-9/h2-7H,1H3,(H,16,17).
What are the key properties of 9-methoxyimidazo[2,1-a]isoquinoline-3-carboxylic acid?
9-methoxyimidazo[2,1-a]isoquinoline-3-carboxylic acid has a molecular weight of 242.23 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxyimidazo[2,1-a]isoquinoline-3-carboxylic acid is sourced from PubChem (CID 115044613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).