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

HCID 57737151
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cc2nccc(Oc3ccc4c(c3)OCCN4)c2cc1O
InChIKey
ISCXDOGMFKBOGJ-UHFFFAOYSA-N
Molecular formula
C18H16N2O4
Average molar mass
324.3 g/mol

Names & identifiers

Preferred name
4-(3,4-dihydro-2H-benzo[b][1,4]oxazin-7-yloxy)-7-methoxyquinolin-6-ol
IUPAC
4-(3,4-dihydro-2H-1,4-benzoxazin-7-yloxy)-7-methoxyquinolin-6-ol

Names & synonyms

SCHEMBL3085950ISCXDOGMFKBOGJ-UHFFFAOYSA-N4-(3,4-dihydro-2H-benzo[b][1,4]oxazin-7-yloxy)-7-methoxyquinolin-6-ol

Database identifiers

PubChem CID
57737151

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
72.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
24
Formal charge
0
Complexity
424

Related reactions

4 records
New reaction record
HRID 686551 reaction equation
HRID 686551As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1214815 reaction equation
HRID 1214815As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1712977 reaction equation
HRID 1712977As productuspto-grants-2010_09
HRID 1712978 reaction equation
HRID 1712978As reactantuspto-grants-2010_09

Compound notes

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