Basic information
- CAS
32606-04-5- Standard SMILES
COc1c(C)c(=O)n(C)c2ccccc12- InChIKey
KGJOYNVCJDCRTA-UHFFFAOYSA-N- Molecular formula
- C12H13NO2
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.09462866
Names & identifiers
- Preferred name
- Carbostyril, 1,3-dimethyl-4-methoxy-
- IUPAC
- 4-methoxy-1,3-dimethylquinolin-2-one
- English name
- 4-Methoxy-1,3-dimethylquinolin-2(1H)-one
- Molecular formula
- C12H13NO2
- Molecular weight
- 203.24
Names & synonyms
1,3-Dimethyl-4-methoxycarbostyril32606-04-5CARBOSTYRIL, 1,3-DIMETHYL-4-METHOXY-BRN 15327122(1H)-Quinolinone, 1,3-dimethyl-4-methoxy-DTXSID901863025-21-12-00341 (Beilstein Handbook Reference)RefChem:333550DTXCID601087934-methoxy-1,3-dimethylquinolin-2(1H)-oneSCHEMBL159206272(1H)-Quinolinone, 4-methoxy-1,3-dimethyl-
Database identifiers
- CAS
32606-04-5- PubChem CID
- 36192
- DTXSID
DTXSID90186302- Nikkaji
- J48.460A
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- Melting point
- 54 · 54-55 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 313.7 · 313.7±42.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- -0.47 · -0.47±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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