Basic information
- Standard SMILES
CN1CCN(C2(CN(Cc3cc4ccccc4n(C)c3=O)C(=O)C3CCCCC3)CCC=COC2)CC1- InChIKey
WUQSGSUPXIBAMX-UHFFFAOYSA-N- Molecular formula
- C30H42N4O3
- Average molar mass
- 506.7 g/mol
Names & identifiers
- Preferred name
- N-[(1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-{[3-(4-methylpiperazin-1-yl)-2,3,4,5-tetrahydrooxepin-3-yl]methyl}cyclohexanecarboxamide
- IUPAC
- N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-N-[[3-(4-methylpiperazin-1-yl)-4,5-dihydro-2H-oxepin-3-yl]methyl]cyclohexanecarboxamide
Names & synonyms
SCHEMBL2403851WUQSGSUPXIBAMX-UHFFFAOYSA-NN-[(1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-N-{[3-(4-methylpiperazin-1-yl)-2,3,4,5-tetrahydrooxepin-3-yl]methyl}cyclohexanecarboxamide
Database identifiers
- PubChem CID
- 58415943
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 874
Related reactions
4 records
Compound notes
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