Basic information
- Standard SMILES
Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cn5)cc4=O)cc31)CCN(C(=O)OC(C)(C)C)C2- InChIKey
GKBMNUFEIBUCPG-UHFFFAOYSA-N- Molecular formula
- C28H29ClN4O4
- Average molar mass
- 521 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 7-(4-((5-chloropyridin-2-yl)methoxy)-2-oxopyridin-1(2H)-yl)-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2(9H)-carboxylate
- IUPAC
- tert-butyl 7-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate
Names & synonyms
SCHEMBL11427457GKBMNUFEIBUCPG-UHFFFAOYSA-Ntert-Butyl 7-(4-((5-chloropyridin-2-yl)methoxy)-2-oxopyridin-1(2H)-yl)-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2(9H)-carboxylate
Database identifiers
- PubChem CID
- 57950415
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 76.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 934
Related reactions
4 records
Compound notes
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