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7-Amino-4-Methyl-2-Quinolinone
CAS: 19840-99-4 | C10H10N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
19840-99-4
Molecular Formula:
C10H10N2O
Molecular Mass:
174.20 g/mol
Names and Synonyms:
7-Amino-4-Methyl-2-Quinolinone
Carbostyryl 7
2(1H)-Quinolinone, 7-amino-4-methyl-
Carbostyril, 7-amino-4-methyl-
7-Amino-4-methyl-2(1H)-quinolinone
2-Hydroxy-4-methyl-7-aminoquinoline
4-Methyl-7-aminocarbostyril
7-Amino-4-methyl-2-quinolinone
Carbostyril 124
7-Amino-4-methyl-2-quinolone
7-Amino-4-methylcarbostyril
7-Amino-2-hydroxy-4-methylquinoline
Identifiers:
SMILES:
Cc1cc(O)nc2cc(N)ccc12
InChI:
InChI=1S/C10H10N2O/c1-6-4-10(13)12-9-5-7(11)2-3-8(6)9/h2-5H,11H2,1H3,(H,12,13)
Key Properties
Melting Point
274 °C
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
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 |
|---|
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 | 174.20 g/mol | CAS Common Chemistry |
| 174.20299999999997 g/mol | RDKit | |
| 174.07931294 g/mol | RDKit | |
| Canonical SMILES | O=C1C=C(C=2C=CC(N)=CC2N1)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H10N2O/c1-6-4-10(13)12-9-5-7(11)2-3-8(6)9/h2-5H,11H2,1H3,(H,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=MJXYFLJHTUSJGU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 274 °C | CAS Common Chemistry |
| Name | 7-Amino-4-methyl-2-quinolinone | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 59.14 Ų | RDKit |
| LogP | 1.8310199999999999 | RDKit |
| Molar Refractivity | 52.557200000000016 | RDKit |
