Basic information
- Standard SMILES
COc1cc(Nc2c(C#N)cnc3cc4cc(OC)c(OCCN5CCN(C)CC5)cc4cc23)c(Cl)cc1Cl- InChIKey
DSTVLBCXNKRDAS-UHFFFAOYSA-N- Molecular formula
- C29H29Cl2N5O3
- Average molar mass
- 566.5 g/mol
- Monoisotopic mass
- 565.1647452
Names & identifiers
- Preferred name
- 4-(2,4-Dichloro-5-methoxyanilino)-8-methoxy-7-[2-(4-methyl-1-piperazinyl)ethoxy]benzo[g]quinoline-3-carbonitrile
- IUPAC
- 4-(2,4-dichloro-5-methoxyanilino)-8-methoxy-7-[2-(4-methylpiperazin-1-yl)ethoxy]benzo[g]quinoline-3-carbonitrile
Names & synonyms
BDBM6463CHEMBL194969SCHEMBL5252219DSTVLBCXNKRDAS-UHFFFAOYSA-N4-(2,4-dichloro-5-methoxyanilino)-8-methoxy-7-[2-(4-methyl-1-piperazinyl)ethoxy]benzo[g]quinoline-3-carbonitrile4-[(2,4-dichloro-5-methoxyphenyl)amino]-8-methoxy-7-[2-(4-methylpiperazin-1-yl)ethoxy]benzo[g]quinoline-3-carbonitrile
Database identifiers
- PubChem CID
- 5330429
- ChEMBL
CHEMBL194969
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 82.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 839
Related reactions
2 records
Compound notes
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