Basic information
- CAS
61306-74-9- Standard SMILES
COc1ccc(OC)c2c1CCC(=O)N2- InChIKey
DTISIMIVIVPNEX-UHFFFAOYSA-N- Molecular formula
- C11H13NO3
- Average molar mass
- 207.23 g/mol
- Monoisotopic mass
- 207.08954328
Names & identifiers
- Preferred name
- 5,8-Dimethoxy-3,4-dihydroquinolin-2(1H)-one
- IUPAC
- 5,8-dimethoxy-3,4-dihydro-1H-quinolin-2-one
- English name
- 5,8-dimethoxy-3,4-dihydrocarbostyril
- Molecular formula
- C11H13NO3
- Molecular weight
- 207.23
Names & synonyms
5,8-Dimethoxy-3,4-dihydroquinolin-2(1H)-one61306-74-95,8-dimethoxy-1,2,3,4-tetrahydroquinolin-2-one5,8-DIMETHOXY-3,4-DIHYDRO-1H-QUINOLIN-2-ONEMFCD13659441SCHEMBL7097075DTXSID90511872AKOS022393676AS-66014SY126498CS-0080065W15739
Show more names
5,8-dimethoxy-3,4-dihydrocarbostyril2(1H)-Quinolinone, 3,4-dihydro-5,8-dimethoxy5,8-DIMETHOXY-3,4-DIHYDROQUINOLIN-2(1H)-ONE(WXC07205)
Database identifiers
- CAS
61306-74-9- PubChem CID
- 12866657
- DTXSID
DTXSID90511872- Nikkaji
- J29.071H
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Melting point
- 106 · 106-107 °C(Solv: isopropanol (67-63-0))
- Boiling point
- 417.7 · 417.7±45.0 °C(Predicted)
- Density
- 1.172 · 1.172±0.06 g/cm3(Predicted)
- pka
- 13.67 · 13.67±0.20(Predicted)
Chemistry & industry
Suppliers5 total
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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