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Molecule
7-Amino-4-Methyl-2-Quinolinone
CAS: 19840-99-4 · C10H10N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 19840-99-4
- Molecular Formula
- C10H10N2O
- Molecular Mass
- 174.20 g/mol
Identifiers
CAS Registry Number
19840-99-4
SMILES
Cc1cc(O)nc2cc(N)ccc12
InChI Key
MJXYFLJHTUSJGU-UHFFFAOYSA-N
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)
Names and Synonyms
- 7-Amino-4-Methyl-2-Quinolinone Systematic Name
- Carbostyryl 7 Synonym
- 2(1H)-Quinolinone, 7-amino-4-methyl- Synonym
- Carbostyril, 7-amino-4-methyl- Synonym
- 7-Amino-4-methyl-2(1H)-quinolinone Synonym
- 2-Hydroxy-4-methyl-7-aminoquinoline Synonym
- 4-Methyl-7-aminocarbostyril Synonym
- 7-Amino-4-methyl-2-quinolinone Synonym
- Carbostyril 124 Synonym
- 7-Amino-4-methyl-2-quinolone Synonym
- 7-Amino-4-methylcarbostyril Synonym
- 7-Amino-2-hydroxy-4-methylquinoline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 174.20 g/mol | CAS Common Chemistry |
| 174.20299999999997 g/mol | RDKit | |
| 174.203 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 |
| 58.61 Ų | chempirical lib | |
| LogP | 1.8310199999999999 | RDKit |
| 1.831 | RDKit | |
| Molar Refractivity | 52.557200000000016 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1 | RDKit |
| Exact Mass | 174.07931294 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 174.20 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H10N2O.
