2-amino-1-oxoisoquinoline-6-carboxylic acid

C10H8N2O3 — CID 118527683

IUPAC2-amino-1-oxoisoquinoline-6-carboxylic acid
SMILESNn1ccc2cc(C(=O)O)ccc2c1=O
InChIInChI=1S/C10H8N2O3/c11-12-4-3-6-5-7(10(14)15)1-2-8(6)9(12)13/h1-5H,11H2,(H,14,15)
InChIKeyXKDBFOHOISWEJP-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.41
Rot. Bonds1

About 2-amino-1-oxoisoquinoline-6-carboxylic acid

2-amino-1-oxoisoquinoline-6-carboxylic acid (PubChem CID 118527683) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-amino-1-oxoisoquinoline-6-carboxylic acid.

Molecular Properties

Compound Name2-amino-1-oxoisoquinoline-6-carboxylic acid
PubChem CID118527683
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name2-amino-1-oxoisoquinoline-6-carboxylic acid
SMILESNn1ccc2cc(C(=O)O)ccc2c1=O
InChIInChI=1S/C10H8N2O3/c11-12-4-3-6-5-7(10(14)15)1-2-8(6)9(12)13/h1-5H,11H2,(H,14,15)
InChIKeyXKDBFOHOISWEJP-UHFFFAOYSA-N
XLogP0.41
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-diaminonaphthalene-2-carboxylic acid
CID 23293419
1-oxo-2H-isoquinoline-6-carboxylic acid
CID 58252554
bis(naphthalene-2,6-dicarboxylic acid);zirconium
CID 162353964
CID 67200510
CID 67200510
naphthalene-2,6-dicarboxylic acid;thorium
CID 175461115
naphthalene-2,7-dicarboxylic acid;hydrobromide
CID 175255726
ethene;naphthalene-2,6-dicarboxylic acid
CID 66988682
magnesium;hydride;naphthalene-2,6-dicarboxylic acid
CID 173052863
3-[(6-chloro-1-oxoisoquinolin-2-yl)methyl]benzoic acid
CID 93225210
benzene-1,4-diamine;naphthalene-2,6-dicarboxylic acid
CID 175159598
2-hydroxynaphthalene-1,6-dicarboxylic acid;dihydrochloride
CID 68837450
6-amino-5-sulfonaphthalene-2-carboxylic acid
CID 15095377

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-oxoisoquinoline-6-carboxylic acid?
The IUPAC name of 2-amino-1-oxoisoquinoline-6-carboxylic acid (CID 118527683) is 2-amino-1-oxoisoquinoline-6-carboxylic acid.
What is the SMILES notation for 2-amino-1-oxoisoquinoline-6-carboxylic acid?
The canonical SMILES for 2-amino-1-oxoisoquinoline-6-carboxylic acid is Nn1ccc2cc(C(=O)O)ccc2c1=O.
What is the InChIKey of 2-amino-1-oxoisoquinoline-6-carboxylic acid?
The InChIKey is XKDBFOHOISWEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c11-12-4-3-6-5-7(10(14)15)1-2-8(6)9(12)13/h1-5H,11H2,(H,14,15).
What are the key properties of 2-amino-1-oxoisoquinoline-6-carboxylic acid?
2-amino-1-oxoisoquinoline-6-carboxylic acid has a molecular weight of 204.19 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-oxoisoquinoline-6-carboxylic acid is sourced from PubChem (CID 118527683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).