4-(Benzylamino)-11-methyl-5,11-dihydro-10H-pyrimido(4,5-c)(2)benzazepin-10-one
Basic information
- CAS
64261-47-8- Standard SMILES
CN1C(=O)c2ccccc2Cc2c(NCc3ccccc3)ncnc21- InChIKey
VWGSVJJYPFMDSS-UHFFFAOYSA-N- Molecular formula
- C20H18N4O
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.14806121
Names & identifiers
- Preferred name
- 4-(Benzylamino)-11-methyl-5,11-dihydro-10H-pyrimido(4,5-c)(2)benzazepin-10-one
- IUPAC
- 1-(benzylamino)-5-methyl-11H-pyrimido[4,5-c][2]benzazepin-6-one
Names & synonyms
64261-47-8Z94NBV82YDUNII-Z94NBV82YDNSC 2953004-(Benzylamino)-11-methyl-5,11-dihydro-10H-pyrimido(4,5-c)(2)benzazepin-10-oneNSC-295300DTXSID802144814-(Benzylamino)-11-methyl-5,11-dihydro-10H-pyrimido[4,5-c][2]benzazepin-10-one10H-PYRIMIDO(4,5-C)(2)BENZAZEPIN-10-ONE, 5,11-DIHYDRO-11-METHYL-4-((PHENYLMETHYL)AMINO)-RefChem:97343DTXCID80136972NSC295300
Show more names
MLS0031156871-(benzylamino)-5-methyl-11H-pyrimido[4,5-c][2]benzazepin-6-oneCHEMBL2144957SMR001831258
Database identifiers
- CAS
64261-47-8- PubChem CID
- 325815
- DTXSID
DTXSID80214481- ChEMBL
CHEMBL2144957- UNII
- Z94NBV82YD
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 465
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Related reactions
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Compound notes
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