5-hydroxy-1-methoxyisoquinoline-4-carboxylic acid

C11H9NO4 — CID 84684367

IUPAC5-hydroxy-1-methoxyisoquinoline-4-carboxylic acid
SMILESCOc1ncc(C(=O)O)c2c(O)cccc12
InChIInChI=1S/C11H9NO4/c1-16-10-6-3-2-4-8(13)9(6)7(5-12-10)11(14)15/h2-5,13H,1H3,(H,14,15)
InChIKeyOSRFXVCYKYVHAU-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.65
Rot. Bonds2

About 5-hydroxy-1-methoxyisoquinoline-4-carboxylic acid

5-hydroxy-1-methoxyisoquinoline-4-carboxylic acid (PubChem CID 84684367) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is 5-hydroxy-1-methoxyisoquinoline-4-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-1-methoxyisoquinoline-4-carboxylic acid
PubChem CID84684367
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Name5-hydroxy-1-methoxyisoquinoline-4-carboxylic acid
SMILESCOc1ncc(C(=O)O)c2c(O)cccc12
InChIInChI=1S/C11H9NO4/c1-16-10-6-3-2-4-8(13)9(6)7(5-12-10)11(14)15/h2-5,13H,1H3,(H,14,15)
InChIKeyOSRFXVCYKYVHAU-UHFFFAOYSA-N
XLogP1.65
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1-methoxyisoquinolin-5-ol
CID 84708016
1-methoxyisoquinoline-5-carboxylic acid
CID 82569725
1-methoxy-4-(4-methoxyphenyl)isoquinolin-5-ol
CID 71375623
1,7-dimethoxyisoquinoline-4-carboxylic acid
CID 84696458
4-(4-fluorophenyl)-1-methoxyisoquinolin-5-ol
CID 71375626
5,8-dihydroxynaphthalene-1-carboxylic acid
CID 68625233
6-ethyl-1-methoxyisoquinoline-4-carboxylic acid
CID 84694428
4-methoxy-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 134680069
4-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-1-methoxyisoquinolin-5-ol
CID 23077421
4-chloro-8-methoxyquinoline-3-carboxylic acid;hydrochloride
CID 67617550
5-(3-fluorophenyl)-2-methoxypyridine-3-carboxylic acid
CID 46314070
1-methoxy-4-methylisoquinoline-7-carboxylic acid
CID 115063680

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-methoxyisoquinoline-4-carboxylic acid?
The IUPAC name of 5-hydroxy-1-methoxyisoquinoline-4-carboxylic acid (CID 84684367) is 5-hydroxy-1-methoxyisoquinoline-4-carboxylic acid.
What is the SMILES notation for 5-hydroxy-1-methoxyisoquinoline-4-carboxylic acid?
The canonical SMILES for 5-hydroxy-1-methoxyisoquinoline-4-carboxylic acid is COc1ncc(C(=O)O)c2c(O)cccc12.
What is the InChIKey of 5-hydroxy-1-methoxyisoquinoline-4-carboxylic acid?
The InChIKey is OSRFXVCYKYVHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4/c1-16-10-6-3-2-4-8(13)9(6)7(5-12-10)11(14)15/h2-5,13H,1H3,(H,14,15).
What are the key properties of 5-hydroxy-1-methoxyisoquinoline-4-carboxylic acid?
5-hydroxy-1-methoxyisoquinoline-4-carboxylic acid has a molecular weight of 219.20 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-methoxyisoquinoline-4-carboxylic acid is sourced from PubChem (CID 84684367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).