11-Methyl-4-(1-pyrrolidinyl)-5,11-dihydro-10H-pyrimido(4,5-c)(2)benzazepin-10-one
Basic information
- CAS
64261-48-9- Standard SMILES
CN1C(=O)c2ccccc2Cc2c(N3CCCC3)ncnc21- InChIKey
YHHQKZHSIMSQHE-UHFFFAOYSA-N- Molecular formula
- C17H18N4O
- Average molar mass
- 294.35 g/mol
- Monoisotopic mass
- 294.14806121
Names & identifiers
- Preferred name
- 11-Methyl-4-(1-pyrrolidinyl)-5,11-dihydro-10H-pyrimido(4,5-c)(2)benzazepin-10-one
- IUPAC
- 5-methyl-1-pyrrolidin-1-yl-11H-pyrimido[4,5-c][2]benzazepin-6-one
Names & synonyms
64261-48-9T6FZB0J5GSUNII-T6FZB0J5GSNSC 29530111-Methyl-4-(1-pyrrolidinyl)-5,11-dihydro-10H-pyrimido(4,5-c)(2)benzazepin-10-oneNSC-295301DTXSID4021448210H-PYRIMIDO(4,5-C)(2)BENZAZEPIN-10-ONE, 5,11-DIHYDRO-11-METHYL-4-(1-PYRROLIDINYL)-11-Methyl-4-(1-pyrrolidinyl)-5,11-dihydro-10H-pyrimido[4,5-c][2]benzazepin-10-oneRefChem:77941DTXCID40136973NSC295301
Show more names
5-methyl-1-pyrrolidin-1-yl-11H-pyrimido[4,5-c][2]benzazepin-6-one11-Methyl-4-(pyrrolidin-1-yl)-5,11-dihydro-10H-pyrimido[4,5-c][2]benzazepin-10-one
Database identifiers
- CAS
64261-48-9- PubChem CID
- 325816
- DTXSID
DTXSID40214482- UNII
- T6FZB0J5GS
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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