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7-(7-(benzyloxy)-6-methoxyquinolin-4-yloxy)-3,4-dihydro-2H-benzo[b][1,4]oxazine

HCID 57737149
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cc2c(Oc3ccc4c(c3)OCCN4)ccnc2cc1OCc1ccccc1
InChIKey
CDGZZDPPDFVXAL-UHFFFAOYSA-N
Molecular formula
C25H22N2O4
Average molar mass
414.5 g/mol

Names & identifiers

Preferred name
7-(7-(benzyloxy)-6-methoxyquinolin-4-yloxy)-3,4-dihydro-2H-benzo[b][1,4]oxazine
IUPAC
7-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxy-3,4-dihydro-2H-1,4-benzoxazine

Names & synonyms

SCHEMBL3068055CDGZZDPPDFVXAL-UHFFFAOYSA-N7-(7-(benzyloxy)-6-methoxyquinolin-4-yloxy)-3,4-dihydro-2H-benzo[b][1,4]oxazine

Database identifiers

PubChem CID
57737149

Properties

Computed structural propertiesFilling in

XLogP
4.9
Topological polar surface area
61.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
31
Formal charge
0
Complexity
558

Related reactions

4 records
New reaction record
HRID 140193 reaction equation
HRID 140193As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1113159 reaction equation
HRID 1113159As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1712973 reaction equation
HRID 1712973As productuspto-grants-2010_09
HRID 1712974 reaction equation
HRID 1712974As reactantuspto-grants-2010_09

Compound notes

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