methyl [6-chloro-2-[(5,6,7,8-tetrahydroisoquinolin-3-yl)carbonyl]-1H-indol-3-yl]acetate

HCID 9908023

Basic information

Standard SMILES
COC(=O)Cc1c(C(=O)c2cc3c(cn2)CCCC3)[nH]c2cc(Cl)ccc12
InChIKey
MRXRTBPAJHNXRY-UHFFFAOYSA-N
Molecular formula
C21H19ClN2O3
Average molar mass
382.8 g/mol

Names & identifiers

Preferred name
methyl [6-chloro-2-[(5,6,7,8-tetrahydroisoquinolin-3-yl)carbonyl]-1H-indol-3-yl]acetate
IUPAC
methyl 2-[6-chloro-2-(5,6,7,8-tetrahydroisoquinoline-3-carbonyl)-1H-indol-3-yl]acetate

Names & synonyms

MRXRTBPAJHNXRY-UHFFFAOYSA-Nmethyl [6-chloro-2-[(5,6,7,8-tetrahydroisoquinolin-3-yl)carbonyl]-1H-indol-3-yl]acetateMethyl [6-chloro-2-[(5,6,7,8-tetrahydroisoquinolin-3yl)carbonyl]-1H-indol-3-yl]acetate

Database identifiers

PubChem CID
9908023

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
72.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
27

Related reactions

7 records

Compound notes

Loading…