2-{[(aminocarbonyl)amino]methyl}-N-(4-chlorobenzyl)-8-(4-morpholinylmethyl)-6-oxo-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide
Basic information
- Standard SMILES
NC(=O)NCc1cc2cc(CN3CCOCC3)cc3c(=O)c(C(=O)NCc4ccc(Cl)cc4)cn1c23- InChIKey
FVNFDYWENRGVNE-UHFFFAOYSA-N- Molecular formula
- C26H26ClN5O4
- Average molar mass
- 508 g/mol
- Monoisotopic mass
- 507.167332
Names & identifiers
- Preferred name
- 2-{[(aminocarbonyl)amino]methyl}-N-(4-chlorobenzyl)-8-(4-morpholinylmethyl)-6-oxo-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide
- IUPAC
- 2-[(carbamoylamino)methyl]-N-[(4-chlorophenyl)methyl]-6-(morpholin-4-ylmethyl)-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,10-pentaene-10-carboxamide
Names & synonyms
SCHEMBL6707944FVNFDYWENRGVNE-UHFFFAOYSA-NN-[(4-chlorophenyl)methyl]-(morpholinomethyl)-oxo-(ureidomethyl)[?]carboxamide2-{[(aminocarbonyl)amino]methyl}-N-(4-chlorobenzyl)-8-(4-morpholinylmethyl)-6-oxo-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide2-{[Aminocarbonyl)amino]methyl}-N-(4-chlorobenzyl)-8-(4-morpholinylmethyl)-6-oxo-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide
Database identifiers
- PubChem CID
- 491964
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 870
Related reactions
1 records
Compound notes
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