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5-Acetyl-8-(Phenylmethoxy)-2(1H)-Quinolinone
CAS: 93609-84-8 | C18H15NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
93609-84-8
Molecular Formula:
C18H15NO3
Molecular Mass:
293.32 g/mol
Names and Synonyms:
5-Acetyl-8-(Phenylmethoxy)-2(1H)-Quinolinone
2(1H)-Quinolinone, 5-acetyl-8-(phenylmethoxy)-
5-Acetyl-8-(phenylmethoxy)-2(1H)-quinolinone
5-Acetyl-8-(benzyloxy)carbostyril
5-Acetyl-8-benzyloxy-2(1H)-quinolinone
5-Acetyl-8-benzyloxy-1H-quinolin-2-one
8-(Benzyloxy)-5-(1-oxoethyl)-1H-quinolin-2-one
Identifiers:
SMILES:
CC(=O)c1ccc(OCc2ccccc2)c2nc(O)ccc12
InChI:
InChI=1S/C18H15NO3/c1-12(20)14-7-9-16(18-15(14)8-10-17(21)19-18)22-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,21)
Key Properties
Melting Point
170 °C @ Solvent: Benzene
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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 | 293.32 g/mol | CAS Common Chemistry |
| 293.322 g/mol | RDKit | |
| 293.10519334 g/mol | RDKit | |
| Canonical SMILES | O=C1C=CC=2C(=CC=C(OCC=3C=CC=CC3)C2N1)C(=O)C | CAS Common Chemistry |
| InChI | InChI=1S/C18H15NO3/c1-12(20)14-7-9-16(18-15(14)8-10-17(21)19-18)22-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,21) | CAS Common Chemistry |
| InChI Key | InChIKey=MVYPGJMOODJFAZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 170 °C @ Solvent: Benzene | CAS Common Chemistry |
| Name | 5-Acetyl-8-(phenylmethoxy)-2(1H)-quinolinone | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 59.42 Ų | RDKit |
| LogP | 3.722000000000002 | RDKit |
| Molar Refractivity | 84.18630000000003 | RDKit |
