N-(2-pyridinylmethyl)-N-(2-nitrobenzenesulfonyl)-N'-(4-methoxy-5,6,7,8-tetrahydro-8-quinolinyl)-1,4-benzenedimethanamine

HCID 22018772

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COc1ccnc2c1CCCC2NCc1ccc(CN(Cc2ccccn2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1
InChIKey: DAUGDMJZNSYQSZ-UHFFFAOYSA-N
Molecular formula: C30H31N5O5S
Average molar mass: 573.7 g/mol

Names & identifiers

Preferred name: N-(2-pyridinylmethyl)-N-(2-nitrobenzenesulfonyl)-N'-(4-methoxy-5,6,7,8-tetrahydro-8-quinolinyl)-1,4-benzenedimethanamine
IUPAC: N-[[4-[[(4-methoxy-5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]-2-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide

Names & synonyms

SCHEMBL4069997DAUGDMJZNSYQSZ-UHFFFAOYSA-NN-(2-pyridinylmethyl)-N-(2-nitrobenzenesulfonyl)-N'-(4-methoxy-5,6,7,8-tetrahydro-8-quinolinyl)-1,4-benzenedimethanamine

Database identifiers

PubChem CID: 22018772

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 139 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 9
Rotatable bonds: 10
Heavy atoms: 41
Formal charge: 0
Complexity: 935

Related reactions

4 records

New reaction record

HRID 7134As reactantuspto-grants-2006_08

HRID 747334As reactantuspto-grants-2008_07

HRID 983620As reactantuspto-grants-2005_03

HRID 1135867As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

Loading…