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3-(6-Ethoxy-7-methoxyquinazolin-4-yloxy)aniline

HCID 66876247
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOc1cc2c(Oc3cccc(N)c3)ncnc2cc1OC
InChIKey
XNOKJFARSJXQGG-UHFFFAOYSA-N
Molecular formula
C17H17N3O3
Average molar mass
311.33 g/mol

Names & identifiers

Preferred name
3-(6-Ethoxy-7-methoxyquinazolin-4-yloxy)aniline
IUPAC
3-(6-ethoxy-7-methoxyquinazolin-4-yl)oxyaniline

Names & synonyms

SCHEMBL1011750XNOKJFARSJXQGG-UHFFFAOYSA-N3-(6-ethoxy-7-methoxyquinazolin-4-yloxy)aniline

Database identifiers

PubChem CID
66876247

Properties

Computed structural properties

XLogP
3
Topological polar surface area
79.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
23
Formal charge
0
Complexity
371

Related reactions

6 records
New reaction record
HRID 122694 reaction equation
HRID 122694As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 631578 reaction equation
HRID 631578As productuspto-grants-2016_04
HRID 631579 reaction equation
HRID 631579As reactantuspto-grants-2016_04
HRID 871628 reaction equation
HRID 871628As productuspto-grants-2015_03
HRID 871629 reaction equation
HRID 871629As reactantuspto-grants-2015_03
HRID 1918031 reaction equation
HRID 1918031As reactantuspto-grants-2013_12

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes