(4-Tert-butylcyclohexyl)-[4-(6,7-dimethoxyquinolin-4-yloxy)phenyl]amine

HCID 10113795

Notes Reactions

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Basic information

Standard SMILES: COc1cc2nccc(Oc3ccc(NC4CCC(C(C)(C)C)CC4)cc3)c2cc1OC
InChIKey: MGGAROKMOBSMTE-UHFFFAOYSA-N
Molecular formula: C27H34N2O3
Average molar mass: 434.6 g/mol

Names & identifiers

Preferred name: (4-Tert-butylcyclohexyl)-[4-(6,7-dimethoxyquinolin-4-yloxy)phenyl]amine
IUPAC: N-(4-tert-butylcyclohexyl)-4-(6,7-dimethoxyquinolin-4-yl)oxyaniline

Names & synonyms

CHEMBL352534SCHEMBL4475004MGGAROKMOBSMTE-UHFFFAOYSA-NBDBM50141828(4-Tert-butylcyclohexyl)-[4-(6,7-dimethoxyquinolin-4-yloxy)phenyl]amine(4-tert-Butyl-cyclohexyl)-[4-(6,7-dimethoxy-quinolin-4-yloxy)-phenyl]-amine

Database identifiers

PubChem CID: 10113795
ChEMBL: CHEMBL352534

Properties

Computed structural properties

XLogP: 6.9
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 32
Formal charge: 0
Complexity: 564

Related reactions

2 records

New reaction record

HRID 152038As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1727870As productuspto-grants-2009_02

Compound notes

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