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Basic information
- Standard SMILES
CCOC(=O)C(C)(C)Oc1ccc2c(c1)c(-c1ccc3ccccc3n1)c1n2CCCCC1- InChIKey
JJRFAWKEKBCEKR-UHFFFAOYSA-N- Molecular formula
- C28H30N2O3
- Average molar mass
- 442.5 g/mol
- Monoisotopic mass
- 442.22564282
Names & identifiers
- Preferred name
- 2-[11-(2-Quinolyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]-indole-2-yloxy]-2-methyl-propanoic acid ethylester
- IUPAC
- ethyl 2-methyl-2-[(11-quinolin-2-yl-7,8,9,10-tetrahydro-6H-azepino[1,2-a]indol-2-yl)oxy]propanoate
Names & synonyms
SCHEMBL11259318JJRFAWKEKBCEKR-UHFFFAOYSA-N2-[11-(2-Quinolyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-a]-indole-2-yloxy]-2-methyl-propanoic acid ethylester
Database identifiers
- PubChem CID
- 53959080
Properties
Computed structural propertiesFilling in
- XLogP
- 5.9
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 682
Related reactions
1 records
Compound notes
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