Basic information
- Standard SMILES
COc1ccc(-c2cnc(N3Cc4c([nH]c5ccccc5c4=O)C3c3ccc4c(c3)OCO4)nc2)cc1OC- InChIKey
UKTMVBPQNHUHGD-UHFFFAOYSA-N- Molecular formula
- C30H24N4O5
- Average molar mass
- 520.5 g/mol
Names & identifiers
- Preferred name
- 1,2,3,4-Tetrahydro-2-[5-(3,4-dimethoxyphenyl)-pyrimidin-2-yl]-3-(3,4-methylenedioxyphenyl)-9H-pyrrolo-[3,4-b]quinolin-9-one
- IUPAC
- 3-(1,3-benzodioxol-5-yl)-2-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
Names & synonyms
SCHEMBL6409674UKTMVBPQNHUHGD-UHFFFAOYSA-N1,2,3,4-Tetrahydro-2-[5-(3,4-dimethoxyphenyl)-pyrimidin-2-yl]-3-(3,4-methylenedioxyphenyl)-9H-pyrrolo-[3,4-b]quinolin-9-one
Database identifiers
- PubChem CID
- 10301622
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 95 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 938
Related reactions
2 records
Compound notes
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