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4-Hydroxy-1-Methyl-2(1H)-Quinolinone
CAS: 1677-46-9 | C10H9NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1677-46-9
Molecular Formula:
C10H9NO2
Molecular Mass:
175.19 g/mol
Names and Synonyms:
4-Hydroxy-1-Methyl-2(1H)-Quinolinone
1-Methyl-4-hydroxy-2-quinolone
4-Hydroxy-1-methyl-2-quinolinone
2(1H)-Quinolinone, 4-hydroxy-1-methyl-
Carbostyril, 4-hydroxy-1-methyl-
4-Hydroxy-1-methyl-2(1H)-quinolinone
4-Hydroxy-N-methylcarbostyril
4-Hydroxy-1-methyl-2-quinolone
1-Methyl-2-oxo-1,2-dihydro-4-hydroxyquinoline
4-Hydroxy-N-methyl-2-quinolone
4-Hydroxy-1-methyl-2(1H)-quinolone
4-Hydroxy-1-methylcarbostyril
1-Methyl-4-hydroxy-2(1H)-quinolinone
N-Methyl-4-hydroxyquinol-2-one
1-Methyl-4-hydroxycarbostyril
4-Hydroxy-N-methyl-2-quinolinone
4-Hydroxy-1-methylquinolin-2(1H)-one
NSC 39973
4-Hydroxy-1-methylquinoline-2(1H)-one
4-Hydroxy-N-methyl-2-quinolone
1-Methyl-4-hydroxyquinolin-2-one
Identifiers:
SMILES:
Cn1c(=O)cc(O)c2ccccc21
InChI:
InChI=1S/C10H9NO2/c1-11-8-5-3-2-4-7(8)9(12)6-10(11)13/h2-6,12H,1H3
Key Properties
Melting Point
255-258 °C @ Solvent: Ethanol
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 175.19 g/mol | CAS Common Chemistry |
| 175.18699999999998 g/mol | RDKit | |
| 175.063328528 g/mol | RDKit | |
| Canonical SMILES | O=C1C=C(O)C=2C=CC=CC2N1C | CAS Common Chemistry |
| InChI | InChI=1S/C10H9NO2/c1-11-8-5-3-2-4-7(8)9(12)6-10(11)13/h2-6,12H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RTNPPPQVXREFKX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 255-258 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | 4-Hydroxy-1-methyl-2(1H)-quinolinone | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 42.230000000000004 Ų | RDKit |
| LogP | 1.2440999999999998 | RDKit |
| Molar Refractivity | 50.85380000000003 | RDKit |
