6-methoxyquinoline-4-sulfonic acid

C10H9NO4S — CID 119093175

IUPAC6-methoxyquinoline-4-sulfonic acid
SMILESCOc1ccc2nccc(S(=O)(=O)O)c2c1
InChIInChI=1S/C10H9NO4S/c1-15-7-2-3-9-8(6-7)10(4-5-11-9)16(12,13)14/h2-6H,1H3,(H,12,13,14)
InChIKeyFXMRRGGAVIYAEM-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.49
Rot. Bonds2

About 6-methoxyquinoline-4-sulfonic acid

6-methoxyquinoline-4-sulfonic acid (PubChem CID 119093175) has the molecular formula C10H9NO4S and a molecular weight of 239.25 g/mol. Its IUPAC name is 6-methoxyquinoline-4-sulfonic acid.

Molecular Properties

Compound Name6-methoxyquinoline-4-sulfonic acid
PubChem CID119093175
Molecular FormulaC10H9NO4S
Molecular Weight239.25 g/mol
Exact Mass239.03
IUPAC Name6-methoxyquinoline-4-sulfonic acid
SMILESCOc1ccc2nccc(S(=O)(=O)O)c2c1
InChIInChI=1S/C10H9NO4S/c1-15-7-2-3-9-8(6-7)10(4-5-11-9)16(12,13)14/h2-6H,1H3,(H,12,13,14)
InChIKeyFXMRRGGAVIYAEM-UHFFFAOYSA-N
XLogP1.49
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-6-methoxyquinoline
CID 58989607
azane;6-methoxyquinoline-4-carboxylic acid
CID 67151937
sodium;hydride;6-methoxyquinoline-4-carboxylic acid
CID 173088597
quinoline-4-sulfonic acid;hydrochloride
CID 174805598
2-(6-methoxyquinolin-4-yl)prop-2-enal
CID 135363147
ethane;O-(6-methoxyquinolin-4-yl)hydroxylamine
CID 157043543
methyl 3-(6-methoxyquinolin-4-yl)-3-oxopropanoate
CID 82665606
(E)-but-2-enedioic acid;6-methoxyquinolin-4-amine
CID 87801911
2-hydroxy-3-[(6-methoxyquinolin-4-yl)amino]-N-methylpropanamide
CID 154782094
6-methoxy-4-[(Z)-2-phenylethenyl]quinoline
CID 54610787
3-(6-methoxyquinolin-4-yl)propanal
CID 10751165
7-methoxy-N-phenylquinoline-4-sulfonamide
CID 69089978

Frequently Asked Questions

What is the IUPAC name of 6-methoxyquinoline-4-sulfonic acid?
The IUPAC name of 6-methoxyquinoline-4-sulfonic acid (CID 119093175) is 6-methoxyquinoline-4-sulfonic acid.
What is the SMILES notation for 6-methoxyquinoline-4-sulfonic acid?
The canonical SMILES for 6-methoxyquinoline-4-sulfonic acid is COc1ccc2nccc(S(=O)(=O)O)c2c1.
What is the InChIKey of 6-methoxyquinoline-4-sulfonic acid?
The InChIKey is FXMRRGGAVIYAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4S/c1-15-7-2-3-9-8(6-7)10(4-5-11-9)16(12,13)14/h2-6H,1H3,(H,12,13,14).
What are the key properties of 6-methoxyquinoline-4-sulfonic acid?
6-methoxyquinoline-4-sulfonic acid has a molecular weight of 239.25 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxyquinoline-4-sulfonic acid is sourced from PubChem (CID 119093175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).