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

HCID 57950415

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

Related reactions

4 records

Compound notes

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