Basic information
- Standard SMILES
Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5)cc4=O)cc31)CN(C(=O)OC(C)(C)C)CC2- InChIKey
ICIYOHSHTQZRII-UHFFFAOYSA-N- Molecular formula
- C29H30ClN3O4
- Average molar mass
- 520 g/mol
- Monoisotopic mass
- 519.1924841
Names & identifiers
- Preferred name
- tert-Butyl 7-(4-(4-chlorobenzyloxy)-2-oxopyridin-1(2H)-yl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carboxylate
- IUPAC
- tert-butyl 7-[4-[(4-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate
Names & synonyms
SCHEMBL3476953ICIYOHSHTQZRII-UHFFFAOYSA-Ntert-Butyl 7-(4-(4-chlorobenzyloxy)-2-oxopyridin-1(2H)-yl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carboxylatetert-Butyl-7-(4-(4-chlorobenzyloxy)-2-oxopyridin-1(2H)-yl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carboxylate
Database identifiers
- PubChem CID
- 57950458
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 923
Related reactions
4 records
Compound notes
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