Basic information
- Standard SMILES
COCC#Cc1ccc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c2occc12- InChIKey
NEEQCTDZIFGBPI-UHFFFAOYSA-N- Molecular formula
- C31H33N5O4
- Average molar mass
- 539.6 g/mol
Names & identifiers
- Preferred name
- 3-Cyano-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]-4-[4-(3-methoxyprop-1-ynyl)benzofuran-7-ylamino]quinoline
- IUPAC
- 6-methoxy-4-[[4-(3-methoxyprop-1-ynyl)-1-benzofuran-7-yl]amino]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
Names & synonyms
SCHEMBL5434045NEEQCTDZIFGBPI-UHFFFAOYSA-N3-cyano-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]-4-[4-(3-methoxyprop-1-ynyl)benzofuran-7-ylamino]quinoline
Database identifiers
- PubChem CID
- 9871969
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 920
Related reactions
2 records
Compound notes
Loading…