Morpholine-4-carboxylic acid (4-{[2-(isoquinolin-3-ylcarbamoyl)-phenylamino]-methyl}-pyridin-2-yl)-amide

HCID 11612737
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(Nc1cc2ccccc2cn1)c1ccccc1NCc1ccnc(NC(=O)N2CCOCC2)c1
InChIKey
BMQDXUNRGQFTLP-UHFFFAOYSA-N
Molecular formula
C27H26N6O3
Average molar mass
482.5 g/mol

Names & identifiers

Preferred name
Morpholine-4-carboxylic acid (4-{[2-(isoquinolin-3-ylcarbamoyl)-phenylamino]-methyl}-pyridin-2-yl)-amide
IUPAC
N-[4-[[2-(isoquinolin-3-ylcarbamoyl)anilino]methyl]-2-pyridinyl]morpholine-4-carboxamide

Names & synonyms

SCHEMBL13714600BMQDXUNRGQFTLP-UHFFFAOYSA-Nmorpholine-4-carboxylic acid (4-{[2-(isoquinolin-3-ylcarbamoyl)-phenylamino]-methyl}-pyridin-2-yl)-amide

Database identifiers

PubChem CID
11612737

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
108 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
36

Related reactions

2 records
New reaction record

Compound notes

Loading…