1-Hydroxy-3,4-dihydroquinolin-2(1H)-one - CAS 771-19-7
Catalog: |
BB064032 |
Product Name: |
1-Hydroxy-3,4-dihydroquinolin-2(1H)-one |
CAS: |
771-19-7 |
Synonyms: |
3,4-Dihydro-1-hydroxy-carbostyril; 3,4-Dihydro-1-hydroxy-2(1H)-quinolinone; N-Hydroxy-2-oxo-1,2,3,4-tetrahydroquinoline |
IUPAC Name: | 1-hydroxy-3,4-dihydroquinolin-2-one |
Description: | 1-Hydroxy-3,4-dihydroquinolin-2(1H)-one may be an anticancer agent against prostate cancer cell growth. It is also an impurity of Aripiprazole (A771000), a selective dopamine D2-receptor antagonist with dopamine autoreceptor agonist activity. Aripiprazole Impurity 21 |
Molecular Weight: | 163.17 |
Molecular Formula: | C9H9NO2 |
Canonical SMILES: | C1CC(=O)N(C2=CC=CC=C21)O |
InChI: | InChI=1S/C9H9NO2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-4,12H,5-6H2 |
InChI Key: | FDMZUPRSHHGCFL-UHFFFAOYSA-N |
Melting Point: | 120-122°C (dec.) |
Solubility: | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly, Sonicated) |
Appearance: | Pale Orange to Brown Solid |
Storage: | 4°C, Hygroscopic |
References: | Roberts, K. P., et al.:В Prostate 34,В 92 (1998);В Canive, J.M., et al. Psychopharmacol. Bull., 34, 101 (1998), Oshiro, Y., et al. J. Med. Chem., 41, 658 (1998). |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.06332853 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.06332853 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 40.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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