4-(2,4-Dichloro-5-methoxyanilino)-6-methoxy-7-[(1-methylpiperidin-2-yl)methoxy]quinoline-3-carbonitrile
Basic information
- CAS
622369-26-0- Standard SMILES
COc1cc(Nc2c(C#N)cnc3cc(OCC4CCCCN4C)c(OC)cc23)c(Cl)cc1Cl- InChIKey
QSBWHISTPSABIV-UHFFFAOYSA-N- Molecular formula
- C25H26Cl2N4O3
- Average molar mass
- 501.4 g/mol
- Monoisotopic mass
- 500.1381961
Names & identifiers
- Preferred name
- 4-(2,4-Dichloro-5-methoxyanilino)-6-methoxy-7-[(1-methylpiperidin-2-yl)methoxy]quinoline-3-carbonitrile
- IUPAC
- 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[(1-methylpiperidin-2-yl)methoxy]quinoline-3-carbonitrile
Names & synonyms
4-phenylamino-3-quinolinecarbonitrile 94-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[(1-methylpiperidin-2-yl)methoxy]quinoline-3-carbonitrileBDBM6098CHEMBL296844SCHEMBL6183286DTXSID40416202622369-26-04-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[(1-methyl-2-piperidinyl)methoxy]-3-quinolinecarbonitrile4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[(1-methylpiperidin-2-yl)methoxy]quinoline-3-carbonitrile
Database identifiers
- CAS
622369-26-0- PubChem CID
- 5330085
- DTXSID
DTXSID40416202- ChEMBL
CHEMBL296844
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 79.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 709
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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