Basic information
- Standard SMILES
COc1cc(Nc2c(C#N)cnc3cc4cc(OC)c(OCCN5CCOCC5)cc4cc23)c(Cl)cc1Cl- InChIKey
YCQZJQGHFXBTSP-UHFFFAOYSA-N- Molecular formula
- C28H26Cl2N4O4
- Average molar mass
- 553.4 g/mol
- Monoisotopic mass
- 552.1331107
Names & identifiers
- Preferred name
- 4-(2,4-Dichloro-5-methoxyanilino)-8-methoxy-7-[2-(4-morpholinyl)ethoxy]benzo[g]quinoline-3-carbonitrile
- IUPAC
- 4-(2,4-dichloro-5-methoxyanilino)-8-methoxy-7-(2-morpholin-4-ylethoxy)benzo[g]quinoline-3-carbonitrile
Names & synonyms
BDBM6462CHEMBL198211SCHEMBL5251463YCQZJQGHFXBTSP-UHFFFAOYSA-N4-(2,4-dichloro-5-methoxyanilino)-8-methoxy-7-[2-(4-morpholinyl)ethoxy]benzo[g]quinoline-3-carbonitrile4-[(2,4-dichloro-5-methoxyphenyl)amino]-8-methoxy-7-[2-(morpholin-4-yl)ethoxy]benzo[g]quinoline-3-carbonitrile
Database identifiers
- PubChem CID
- 5330428
- ChEMBL
CHEMBL198211
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 811
Related reactions
2 records
Compound notes
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