2-(2-methoxyphenyl)-6,7-dihydro-1H-indeno[6,7,1-def]isoquinoline-1,3(2H)-dione
Basic information
- CAS
5926-33-0- Standard SMILES
COc1ccccc1N1C(=O)c2ccc3c4c(ccc(c24)C1=O)CC3- InChIKey
CRHKSKBUUFSXFC-UHFFFAOYSA-N- Molecular formula
- C21H15NO3
- Average molar mass
- 329.3 g/mol
- Monoisotopic mass
- 329.10519334
Names & identifiers
- Preferred name
- 2-(2-methoxyphenyl)-6,7-dihydro-1H-indeno[6,7,1-def]isoquinoline-1,3(2H)-dione
- IUPAC
- 6-(2-methoxyphenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione
Names & synonyms
2-(2-methoxyphenyl)-6,7-dihydro-1H-indeno[6,7,1-def]isoquinoline-1,3(2H)-dioneCBMicro_001573Oprea1_709921MLS000683332DTXSID90974685SMSF0009764STK733535AKOS001702727CB02976CCG-3537876-(2-methoxyphenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dioneSMR000267678
Show more names
BIM-0001300.P001ST4023460AG-205/32243027SR-01000513126SR-01000513126-1
Database identifiers
- CAS
5926-33-0- PubChem CID
- 754089
- DTXSID
DTXSID90974685
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 539
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Compound notes
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