1-methoxyisoquinoline-5-carboxylic acid

C11H9NO3 — CID 82569725

IUPAC1-methoxyisoquinoline-5-carboxylic acid
SMILESCOc1nccc2c(C(=O)O)cccc12
InChIInChI=1S/C11H9NO3/c1-15-10-8-3-2-4-9(11(13)14)7(8)5-6-12-10/h2-6H,1H3,(H,13,14)
InChIKeyIPWDGKJFGPMWME-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.94
Rot. Bonds2

About 1-methoxyisoquinoline-5-carboxylic acid

1-methoxyisoquinoline-5-carboxylic acid (PubChem CID 82569725) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 1-methoxyisoquinoline-5-carboxylic acid.

Molecular Properties

Compound Name1-methoxyisoquinoline-5-carboxylic acid
PubChem CID82569725
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name1-methoxyisoquinoline-5-carboxylic acid
SMILESCOc1nccc2c(C(=O)O)cccc12
InChIInChI=1S/C11H9NO3/c1-15-10-8-3-2-4-9(11(13)14)7(8)5-6-12-10/h2-6H,1H3,(H,13,14)
InChIKeyIPWDGKJFGPMWME-UHFFFAOYSA-N
XLogP1.94
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(dimethylamino)ethoxy]isoquinoline-5-carboxylic acid
CID 82569729
1-propan-2-ylisoquinoline-5-carboxylic acid
CID 178019104
1-chloroisoquinoline-5-carboxylic acid
CID 21192483
1-[(2-methoxy-2-oxoethyl)amino]isoquinoline-5-carboxylic acid
CID 82571116
cerium;tris(naphthalene-1,5-dicarboxylic acid)
CID 162353954
5-hydroxy-1-methoxyisoquinoline-4-carboxylic acid
CID 84684367
2-(2,3-dimethoxyphenoxy)pyridine-3-carboxylic acid
CID 46779210
2-[(3-carbamoyl-2-pyridinyl)oxy]-3-methoxybenzoic acid
CID 61395782
1-(1-carboxyethylamino)isoquinoline-5-carboxylic acid
CID 82571117
CID 175079027
CID 175079027
carbonic acid;2-methoxy-3-methylbenzoic acid
CID 69114521
5-pyridin-4-ylnaphthalene-1-carboxylic acid
CID 22118910

Frequently Asked Questions

What is the IUPAC name of 1-methoxyisoquinoline-5-carboxylic acid?
The IUPAC name of 1-methoxyisoquinoline-5-carboxylic acid (CID 82569725) is 1-methoxyisoquinoline-5-carboxylic acid.
What is the SMILES notation for 1-methoxyisoquinoline-5-carboxylic acid?
The canonical SMILES for 1-methoxyisoquinoline-5-carboxylic acid is COc1nccc2c(C(=O)O)cccc12.
What is the InChIKey of 1-methoxyisoquinoline-5-carboxylic acid?
The InChIKey is IPWDGKJFGPMWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-15-10-8-3-2-4-9(11(13)14)7(8)5-6-12-10/h2-6H,1H3,(H,13,14).
What are the key properties of 1-methoxyisoquinoline-5-carboxylic acid?
1-methoxyisoquinoline-5-carboxylic acid has a molecular weight of 203.20 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyisoquinoline-5-carboxylic acid is sourced from PubChem (CID 82569725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).