4-[(6,7-Dimethoxy-4-quinolyl)oxy]-2,3-dimethylaniline

HCID 21890439

Notes Reactions

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Basic information

Standard SMILES: COc1cc2nccc(Oc3ccc(N)c(C)c3C)c2cc1OC
InChIKey: ZKPSHRUKJGWIHO-UHFFFAOYSA-N
Molecular formula: C19H20N2O3
Average molar mass: 324.4 g/mol

Names & identifiers

Preferred name: 4-[(6,7-Dimethoxy-4-quinolyl)oxy]-2,3-dimethylaniline
IUPAC: 4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylaniline

Names & synonyms

SCHEMBL4482829ZKPSHRUKJGWIHO-UHFFFAOYSA-N4-[(6,7-Dimethoxy-4-quinolyl)oxy]-2,3-dimethylaniline4-[(6,7-Dimethoxy-4quinolyl)oxy]-2,3-dimethylaniline4-[(6,7-Dimethoxy-4-quinolyl)oxy]-2,3-dimethyl-aniline4-(6,7-Dimethoxy-quinolin-4-yloxy)-2,3-dimethyl-phenylamine

Database identifiers

PubChem CID: 21890439

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 66.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 24
Formal charge: 0
Complexity: 408

Related reactions

198 records

New reaction record

HRID 92220As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 111879As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 155005As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 155115As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 166882As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 171458As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 201792As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 292058As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

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