Basic information
- Standard SMILES
O=C(NCc1ccc(Cl)cc1)c1cn2c(CSc3ccccc3)cc3cc(CN4CCOCC4)cc(c1=O)c32- InChIKey
XGVGSDCQFHFANM-UHFFFAOYSA-N- Molecular formula
- C31H28ClN3O3S
- Average molar mass
- 558.1 g/mol
Names & identifiers
- Preferred name
- N-(4-Chlorobenzyl)-8-morpholinylmethyl)-6-oxo-2-[(phenylsulfanyl)methyl]-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide
- IUPAC
- N-[(4-chlorophenyl)methyl]-6-(morpholin-4-ylmethyl)-9-oxo-2-(phenylsulfanylmethyl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,10-pentaene-10-carboxamide
Names & synonyms
SCHEMBL6706660XGVGSDCQFHFANM-UHFFFAOYSA-NN-[(4-chlorophenyl)methyl]-(morpholinomethyl)-oxo-(phenylsulfanylmethyl)[?]carboxamideN-(4-Chlorobenzyl)-8-(4-morpholinylmethyl)-6-oxo-2-[(phenylsulfanyl)methyl]-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamideN-(4-Chlorobenzyl)-8-morpholinylmethyl)-6-oxo-2-[(phenylsulfanyl)methyl]-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide
Database identifiers
- PubChem CID
- 491968
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 898
Related reactions
2 records
Compound notes
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