4-(3-Aminophenoxy)-6-methoxyquinazolin-7-ol

Substructure search Find similar structures

Basic information

Standard SMILES: COc1cc2c(Oc3cccc(N)c3)ncnc2cc1O
InChIKey: NTAQSSFLBVWCHH-UHFFFAOYSA-N
Molecular formula: C15H13N3O3
Average molar mass: 283.28 g/mol

Names & identifiers

Preferred name: 4-(3-Aminophenoxy)-6-methoxyquinazolin-7-ol
IUPAC: 4-(3-aminophenoxy)-6-methoxyquinazolin-7-ol

Names & synonyms

SCHEMBL1013149NTAQSSFLBVWCHH-UHFFFAOYSA-N4-(3-aminophenoxy)-6-methoxyquinazolin-7-ol

Database identifiers

PubChem CID: 136337771

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 90.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 344

Related reactions

16 records

New reaction record

HRID 166145As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 312070As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 631356As productuspto-grants-2016_04

HRID 631357As reactantuspto-grants-2016_04

HRID 631571As reactantuspto-grants-2016_04

HRID 631583As reactantuspto-grants-2016_04

HRID 871400As productuspto-grants-2015_03

HRID 871401As reactantuspto-grants-2015_03

Compound notes

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