Isoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one, 5,9,10,14b-tetrahydro-12,13-dimethoxy-7-methyl-
Basic information
- CAS
41334-72-9- Standard SMILES
COc1cc2c(cc1OC)C1c3ccccc3NC(=O)C(C)N1CC2- InChIKey
YIXXWASCESMOPY-UHFFFAOYSA-N- Molecular formula
- C20H22N2O3
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.16304257
Names & identifiers
- Preferred name
- Isoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one, 5,9,10,14b-tetrahydro-12,13-dimethoxy-7-methyl-
- IUPAC
- 12,13-dimethoxy-7-methyl-7,9,10,14b-tetrahydro-5H-isoquinolino[2,1-d][1,4]benzodiazepin-6-one
Names & synonyms
Isoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one, 5,9,10,14b-tetrahydro-12,13-dimethoxy-7-methyl-41334-72-912,13-Dimethoxy-7-methyl-5,9,10,14b-tetrahydroisoquino(2,1-d)(1,4)benzodiazepin-6(7H)-oneRefChem:349850DTXSID6096162812,13-Dimethoxy-7-methyl-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-6-ol
Database identifiers
- CAS
41334-72-9- PubChem CID
- 38843
- DTXSID
DTXSID60961628- Nikkaji
- J68.836C
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 499
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Compound notes
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