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N-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]-2,3-dimethylphenyl}-N'-[2-(ethyl-3-methylanilino)ethyl]urea

HCID 21891046
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCN(CCNC(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(C)c1C)c1cccc(C)c1
InChIKey
QPTZKTUCRRTZDL-UHFFFAOYSA-N
Molecular formula
C31H36N4O4
Average molar mass
528.6 g/mol

Names & identifiers

Preferred name
N-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]-2,3-dimethylphenyl}-N'-[2-(ethyl-3-methylanilino)ethyl]urea
IUPAC
1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dimethylphenyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]urea

Names & synonyms

SCHEMBL5824466QPTZKTUCRRTZDL-UHFFFAOYSA-NN-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]-2,3-dimethylphenyl}-N'-[2-(ethyl-3-methylanilino)ethyl]-ureaN-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]-2,3-dimethylphenyl}-N'-[2-(ethyl-3-methylanilino)ethyl]urea

Database identifiers

PubChem CID
21891046

Properties

Computed structural properties

XLogP
5.9
Topological polar surface area
85 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
39
Formal charge
0
Complexity
756

Related reactions

2 records
New reaction record
HRID 694105 reaction equation
HRID 694105As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 721560 reaction equation
HRID 721560As productuspto-grants-2006_11

Compound notes

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