2-(3-amino-2,2-dimethylpropyl)-6-methoxy-1H-benz[de]isoquinoline-1,3(2H)-dione
Basic information
- CAS
94200-38-1- Standard SMILES
COc1ccc2c3c(cccc13)C(=O)N(CC(C)(C)CN)C2=O- InChIKey
OAXARIFQDZZRGL-UHFFFAOYSA-N- Molecular formula
- C18H20N2O3
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.1473925
Names & identifiers
- Preferred name
- 2-(3-amino-2,2-dimethylpropyl)-6-methoxy-1H-benz[de]isoquinoline-1,3(2H)-dione
- IUPAC
- 2-(3-amino-2,2-dimethylpropyl)-6-methoxybenzo[de]isoquinoline-1,3-dione
- English name
- 2-(3-amino-2,2-dimethylpropyl)-6-methoxy-1H-benz[de]isoquinoline-1,3(2H)-dione
- Molecular formula
- C18H20N2O3
- Molecular weight
- 312.363
Names & synonyms
94200-38-1EINECS 303-515-12-(3-Amino-2,2-dimethylpropyl)-6-methoxy-1H-benz(de)isoquinoline-1,3(2H)-dioneDTXSID602409802-(3-amino-2,2-dimethylpropyl)-6-methoxy-1H-benz[de]isoquinoline-1,3(2H)-dioneRefChem:84207DTXCID90163471303-515-12-(3-AMINO-2,2-DIMETHYLPROPYL)-6-METHOXY-1H-BENZO[DE]ISOQUINOLINE-1,3(2H)-DIONE57G6BL2RK7OAXARIFQDZZRGL-UHFFFAOYSA-NNS00040236
Show more names
2-(3-amino-2,2-dimethylpropyl)-6-methoxybenzo[de]isoquinoline-1,3-dione
1H-Benz[de]isoquinoline-1,3(2H)-dione, 2-(3-amino-2,2-dimethylpropyl)-6-methoxy-
Database identifiers
- CAS
94200-38-1- PubChem CID
- 44147142
- DTXSID
DTXSID60240980- UNII
- 57G6BL2RK7
- EC Number
- 303-515-1
- Nikkaji
- J319.092G
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 491
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Compound notes
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