6-amino-4-methoxyquinoline-2-carboxylic acid

C11H10N2O3 — CID 10798845

IUPAC6-amino-4-methoxyquinoline-2-carboxylic acid
SMILESCOc1cc(C(=O)O)nc2ccc(N)cc12
InChIInChI=1S/C11H10N2O3/c1-16-10-5-9(11(14)15)13-8-3-2-6(12)4-7(8)10/h2-5H,12H2,1H3,(H,14,15)
InChIKeyINVYNARMZWSAIZ-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.52
Rot. Bonds2

About 6-amino-4-methoxyquinoline-2-carboxylic acid

6-amino-4-methoxyquinoline-2-carboxylic acid (PubChem CID 10798845) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 6-amino-4-methoxyquinoline-2-carboxylic acid.

Molecular Properties

Compound Name6-amino-4-methoxyquinoline-2-carboxylic acid
PubChem CID10798845
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name6-amino-4-methoxyquinoline-2-carboxylic acid
SMILESCOc1cc(C(=O)O)nc2ccc(N)cc12
InChIInChI=1S/C11H10N2O3/c1-16-10-5-9(11(14)15)13-8-3-2-6(12)4-7(8)10/h2-5H,12H2,1H3,(H,14,15)
InChIKeyINVYNARMZWSAIZ-UHFFFAOYSA-N
XLogP1.52
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-methoxyquinoline-2-carboxylic acid?
The IUPAC name of 6-amino-4-methoxyquinoline-2-carboxylic acid (CID 10798845) is 6-amino-4-methoxyquinoline-2-carboxylic acid.
What is the SMILES notation for 6-amino-4-methoxyquinoline-2-carboxylic acid?
The canonical SMILES for 6-amino-4-methoxyquinoline-2-carboxylic acid is COc1cc(C(=O)O)nc2ccc(N)cc12.
What is the InChIKey of 6-amino-4-methoxyquinoline-2-carboxylic acid?
The InChIKey is INVYNARMZWSAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-16-10-5-9(11(14)15)13-8-3-2-6(12)4-7(8)10/h2-5H,12H2,1H3,(H,14,15).
What are the key properties of 6-amino-4-methoxyquinoline-2-carboxylic acid?
6-amino-4-methoxyquinoline-2-carboxylic acid has a molecular weight of 218.21 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-methoxyquinoline-2-carboxylic acid is sourced from PubChem (CID 10798845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).