4-((6,7-Dimethoxyquinolin-4-yl)oxy)-2-methylaniline

HCID 21890510

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 228559-82-8
Standard SMILES: COc1cc2nccc(Oc3ccc(N)c(C)c3)c2cc1OC
InChIKey: BXVUWRXAXZVIOJ-UHFFFAOYSA-N
Molecular formula: C18H18N2O3
Average molar mass: 310.3 g/mol
Monoisotopic mass: 310.13174244

Names & identifiers

Preferred name: 4-((6,7-Dimethoxyquinolin-4-yl)oxy)-2-methylaniline
IUPAC: 4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylaniline

Names & synonyms

228559-82-84-((6,7-dimethoxyquinolin-4-yl)oxy)-2-methylaniline4-[(6,7-Dimethoxyquinolin-4-yl)oxy]-2-methylanilineBenzenamine, 4-[(6,7-dimethoxy-4-quinolinyl)oxy]-2-methyl-4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylanilineSCHEMBL167759CHEMBL3667505DTXSID20619532BXVUWRXAXZVIOJ-UHFFFAOYSA-NBDBM153651MFCD26386171AKOS030581667

Show more names

AS-70599DB-3484844-[(6,7-dimethoxy-4-quinolyl)oxy]-2-methyl-aniline4-[(6,7-Dimethoxy-4-quinolyl)oxy]-2-methylanilineUS8999982, 4-((6,7-dimethoxyquinolin-4- yl)oxy)-2-methylaniline

Database identifiers

CAS: 228559-82-8
PubChem CID: 21890510
DTXSID: DTXSID20619532
ChEMBL: CHEMBL3667505

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 66.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 23
Formal charge: 0
Complexity: 381

Related reactions

40 records

New reaction record

HRID 115071As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 149172As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 151857As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 162663As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 283600As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 284585As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 305005As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 668699As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

Loading…