Basic information
- Standard SMILES
COc1cc2nc(N3CCc4c(cccc4S(=O)(=O)N4CCN(C)CC4)C3)[nH]c(=O)c2cc1OC- InChIKey
JDMBZYIQCZEXTP-UHFFFAOYSA-N- Molecular formula
- C24H29N5O5S
- Average molar mass
- 499.6 g/mol
Names & identifiers
- Preferred name
- 6,7-dimethoxy-2-[5-(4-methyl-piperazine-1-sulfonyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3H-quinazolin-4-one
- IUPAC
- 6,7-dimethoxy-2-[5-(4-methylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-2-yl]-3H-quinazolin-4-one
Names & synonyms
SCHEMBL5880455JDMBZYIQCZEXTP-UHFFFAOYSA-N6,7-dimethoxy-2-[5-(4-methyl-piperazine-1-sulfonyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3H-quinazolin-4-one
Database identifiers
- PubChem CID
- 136011328
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 916
Related reactions
3 records
Compound notes
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