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Basic information
- CAS
75230-89-6- Standard SMILES
COc1cc2c(c(N)c1OC)CCN1CC(=O)Nc3ccccc3C21- InChIKey
LSZDNIYWRSKGGA-UHFFFAOYSA-N- Molecular formula
- C19H21N3O3
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.15829154
Names & identifiers
- Preferred name
- Isoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one, 5,9,10,14b-tetrahydro-11-amino-12,13-dimethoxy-
- IUPAC
- 11-amino-12,13-dimethoxy-7,9,10,14b-tetrahydro-5H-isoquinolino[2,1-d][1,4]benzodiazepin-6-one
- English name
- 5,9,10,14b-Tetrahydro-11-amino-12,13-dimethoxyisoquino[2,1-d][1,4]benzodiazepin-6(7H)-one
- Molecular formula
- C19H21N3O3
- Molecular weight
- 0
Names & synonyms
75230-89-611-Amino-12,13-dimethoxy-5,9,10,14b-tetrahydroisoquino(2,1-d)(1,4)benzodiazepin-6(7H)-oneIsoquino(2,1-d)(1,4)benzodiazepin-6(7H)-one, 5,9,10,14b-tetrahydro-11-amino-12,13-dimethoxy-RefChem:349845DTXSID2099669811-Amino-12,13-dimethoxy-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-6-ol5,9,10,14b-Tetrahydro-11-amino-12,13-dimethoxyisoquino[2,1-d][1,4]benzodiazepin-6(7H)-one11-amino-12,13-dimethoxy-7,9,10,14b-tetrahydro-5H-isoquinolino[2,1-d][1,4]benzodiazepin-6-one
Database identifiers
- CAS
75230-89-6- PubChem CID
- 53199
- Nikkaji
- J68.830D
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 76.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 502
Related reactions
0 records
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Compound notes
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