2-[3-(chloromethyl)-6-nitro-indoline-1-carbonyl]-N-[2-(2-pyridyl)ethyl]-1H-indole-6-carboxamide
Basic information
- Standard SMILES
O=C(NCCc1ccccn1)c1ccc2cc(C(=O)N3CC(CCl)c4ccc([N+](=O)[O-])cc43)[nH]c2c1- InChIKey
JGJLIPNDTBGANN-UHFFFAOYSA-N- Molecular formula
- C26H22ClN5O4
- Average molar mass
- 503.9 g/mol
- Monoisotopic mass
- 503.1360319
Names & identifiers
- Preferred name
- 2-[3-(chloromethyl)-6-nitro-indoline-1-carbonyl]-N-[2-(2-pyridyl)ethyl]-1H-indole-6-carboxamide
- IUPAC
- 2-[3-(chloromethyl)-6-nitro-2,3-dihydroindole-1-carbonyl]-N-(2-pyridin-2-ylethyl)-1H-indole-6-carboxamide
Names & synonyms
NSC686559SCHEMBL8485316CHEMBL2010454JGJLIPNDTBGANN-UHFFFAOYSA-NNCI60_0312252-((3-(Chloromethyl)-6-(hydroxy(oxido)amino)-2,3-dihydro-1H-indol-1-yl)carbonyl)-N-(2-(2-pyridinyl)ethyl)-1H-indole-6-carboxamide hydrochloride2-[[3-(chloromethyl)-6-nitroindolin-1-yl]carbonyl]-N-[2-(2-pyridinyl)ethyl]indole-6-carboxamide2-[3-(chloromethyl)-6-nitro-indoline-1-carbonyl]-N-[2-(2-pyridyl)ethyl]-1H-indole-6-carboxamide
Database identifiers
- PubChem CID
- 389906
- ChEMBL
CHEMBL2010454
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 825
Related reactions
2 records
Compound notes
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