N-[(3-Aminotetrahydrofuran-3-yl)methyl]-2-(1,1-dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)-6-methylquinolin-4-amine

HCID 71255809
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccc2nc(N3CCS(=O)(=O)c4ccccc4C3)cc(NCC3(N)CCOC3)c2c1
InChIKey
HFDNKVUNLDIUSE-UHFFFAOYSA-N
Molecular formula
C24H28N4O3S
Average molar mass
452.6 g/mol

Names & identifiers

Preferred name
N-[(3-Aminotetrahydrofuran-3-yl)methyl]-2-(1,1-dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)-6-methylquinolin-4-amine
IUPAC
N-[(3-aminooxolan-3-yl)methyl]-2-(1,1-dioxo-3,5-dihydro-2H-1λ6,4-benzothiazepin-4-yl)-6-methylquinolin-4-amine

Names & synonyms

SCHEMBL14692802HFDNKVUNLDIUSE-UHFFFAOYSA-NN-[(3-Aminotetrahydrofuran-3-yl)methyl]-2-(1,1-dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)-6-methylquinolin-4-amine

Database identifiers

PubChem CID
71255809

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
106 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
32

Related reactions

1 records
New reaction record

Compound notes

Loading…