7-hydroxy-1,2-dihydroquinolin-2-one

• ChemBase ID: 171178
• Molecular Formular: C9H7NO2
• Molecular Mass: 161.15738
• Monoisotopic Mass: 161.04767847
• SMILES: c1c2c(ccc1O)ccc(=O)[nH]2
• Canonical SMILES: Oc1ccc2c(c1)[nH]c(=O)cc2
• InChI: InChI=1S/C9H7NO2/c11-7-3-1-6-2-4-9(12)10-8(6)5-7/h1-5,11H,(H,10,12)
• InChIKey: DBSPUDKBNOZFMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-hydroxy-1,2-dihydroquinolin-2-one
• IUPAC Traditional name: 7-hydroxyquinolin-2(1H)-one
• Synonyms: 7-Hydroxy-2(1H)-quinolinone; 7-Hydroxy-1H-quinolin-2-one; 7-Hydroxycarbostyril; 7-Hydroxyquinoline-(1H)-2-one; 7-Hydroxyquinolin-2(1H)-one

Database IDs

• CAS Number: 70500-72-0
• PubChem SID: 164227088
• PubChem CID: 10975787

CALCULATED PROPERTIES

• Acid pKa: 9.204479
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.2934917
• LogD (pH = 7.4): 1.2868589
• Log P: 1.2935771
• Molar Refractivity: 47.2601 cm^3
• Polarizability: 16.756456 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol
• Apperance: Off-White Solid
• Melting Point: >300°C (dec.)

Safety Information

• Storage Condition: Refrigerator

Product Information

• Purity: 95+%

DETAILS

Toronto Research Chemicals - H953255

A substituted carbostyril derivative as pharmaceutical intermediate.

REFERENCES

• Rufer, C., et al.: J. Med. Chem., 18, 253 (1975)
• Selvakumar, N., et al.: Bioorg. Med. Chem. Lett., 13, 4169 (1975)