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

HCID 57950458

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

Related reactions

4 records

Compound notes

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