5-methoxy-1-oxo-2H-isoquinoline-4-carboxylic acid

C11H9NO4 — CID 84684368

IUPAC5-methoxy-1-oxo-2H-isoquinoline-4-carboxylic acid
SMILESCOc1cccc2c(=O)[nH]cc(C(=O)O)c12
InChIInChI=1S/C11H9NO4/c1-16-8-4-2-3-6-9(8)7(11(14)15)5-12-10(6)13/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKeyOCGFURNCTOCSJG-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.23
Rot. Bonds2

About 5-methoxy-1-oxo-2H-isoquinoline-4-carboxylic acid

5-methoxy-1-oxo-2H-isoquinoline-4-carboxylic acid (PubChem CID 84684368) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is 5-methoxy-1-oxo-2H-isoquinoline-4-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-1-oxo-2H-isoquinoline-4-carboxylic acid
PubChem CID84684368
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Name5-methoxy-1-oxo-2H-isoquinoline-4-carboxylic acid
SMILESCOc1cccc2c(=O)[nH]cc(C(=O)O)c12
InChIInChI=1S/C11H9NO4/c1-16-8-4-2-3-6-9(8)7(11(14)15)5-12-10(6)13/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKeyOCGFURNCTOCSJG-UHFFFAOYSA-N
XLogP1.23
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-methoxy-1-oxo-2H-isoquinoline-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-1-oxo-2H-isoquinoline-5-carboxylic acid
CID 115063502
2-methylbenzene-1,3-dicarboxylic acid;1-oxo-2H-isoquinoline-4-carboxylic acid
CID 174724363
8-methoxy-4-propan-2-yl-2H-isoquinolin-1-one
CID 115063386
4-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 53412885
ethane;4-methoxy-2H-isoquinolin-1-one
CID 90873525
2,3-dimethoxybenzoic acid;platinum;hydrate
CID 174478854
1-(4-methoxy-1H-indol-3-yl)butan-1-one
CID 83163491
methyl 2-(4-methoxy-1H-indol-3-yl)-2-oxoacetate
CID 53419524
(E)-3-(4-methoxy-1H-indol-3-yl)but-2-enoic acid
CID 82277542
8-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690286
8-methoxy-1-methylnaphthalene-2-carboxylic acid
CID 115057552
4-hydroxy-5-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 68862785

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-oxo-2H-isoquinoline-4-carboxylic acid?
The IUPAC name of 5-methoxy-1-oxo-2H-isoquinoline-4-carboxylic acid (CID 84684368) is 5-methoxy-1-oxo-2H-isoquinoline-4-carboxylic acid.
What is the SMILES notation for 5-methoxy-1-oxo-2H-isoquinoline-4-carboxylic acid?
The canonical SMILES for 5-methoxy-1-oxo-2H-isoquinoline-4-carboxylic acid is COc1cccc2c(=O)[nH]cc(C(=O)O)c12.
What is the InChIKey of 5-methoxy-1-oxo-2H-isoquinoline-4-carboxylic acid?
The InChIKey is OCGFURNCTOCSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4/c1-16-8-4-2-3-6-9(8)7(11(14)15)5-12-10(6)13/h2-5H,1H3,(H,12,13)(H,14,15).
What are the key properties of 5-methoxy-1-oxo-2H-isoquinoline-4-carboxylic acid?
5-methoxy-1-oxo-2H-isoquinoline-4-carboxylic acid has a molecular weight of 219.20 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-oxo-2H-isoquinoline-4-carboxylic acid is sourced from PubChem (CID 84684368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).