tert-Butyl 9-methyl-7-(2-oxo-4-(pyridin-2-ylmethoxy)pyridin-1(2H)-yl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2(9H)-carboxylate

HCID 57950253

Basic information

Standard SMILES
Cn1c2c(c3ccc(-n4ccc(OCc5ccccn5)cc4=O)cc31)CCN(C(=O)OC(C)(C)C)C2
InChIKey
IGTVLEBBZGHQKZ-UHFFFAOYSA-N
Molecular formula
C28H30N4O4
Average molar mass
486.6 g/mol

Names & identifiers

Preferred name
tert-Butyl 9-methyl-7-(2-oxo-4-(pyridin-2-ylmethoxy)pyridin-1(2H)-yl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2(9H)-carboxylate
IUPAC
tert-butyl 9-methyl-7-[2-oxo-4-(pyridin-2-ylmethoxy)-1-pyridinyl]-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate

Names & synonyms

SCHEMBL11431535IGTVLEBBZGHQKZ-UHFFFAOYSA-Ntert-Butyl 9-methyl-7-(2-oxo-4-(pyridin-2-ylmethoxy)pyridin-1(2H)-yl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2(9H)-carboxylate

Database identifiers

PubChem CID
57950253

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
76.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
36

Related reactions

4 records

Compound notes

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