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

HCID 9864100
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)Cc1c(C(=O)c2cc3c(cn2)CCCC3)[nH]c2cc(Cl)ccc12
InChIKey
CKTUGDQFDNCZCX-UHFFFAOYSA-N
Molecular formula
C20H17ClN2O3
Average molar mass
368.8 g/mol
Monoisotopic mass
368.0927701

Names & identifiers

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

Names & synonyms

CHEMBL1950020SCHEMBL7475160CKTUGDQFDNCZCX-UHFFFAOYSA-NBDBM50365168[6-chloro-2-[(5,6,7,8-tetrahydroisoquinolin-3-yl)carbonyl]-1H-indol-3-yl]acetic acid

Database identifiers

PubChem CID
9864100
ChEMBL
CHEMBL1950020

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
83.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
26

Related reactions

2 records
New reaction record

Compound notes

Loading…