4-[(4-fluoro-1H-indol-5-yl)oxy]-6-hydroxy-7-methoxyquinazoline

HCID 58960219

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COc1cc2ncnc(Oc3ccc4[nH]ccc4c3F)c2cc1O
InChIKey: MSSQKMITJUFMHY-UHFFFAOYSA-N
Molecular formula: C17H12FN3O3
Average molar mass: 325.29 g/mol

Names & identifiers

Preferred name: 4-[(4-fluoro-1H-indol-5-yl)oxy]-6-hydroxy-7-methoxyquinazoline
IUPAC: 4-[(4-fluoro-1H-indol-5-yl)oxy]-7-methoxyquinazolin-6-ol

Names & synonyms

SCHEMBL1401665MSSQKMITJUFMHY-UHFFFAOYSA-N4-(4-fluoroindol-5-yloxy)-6-hydroxy-7-methoxyquinazoline4-[(4-fluoro-1H-indol-5-yl)oxy]-6-hydroxy-7-methoxyquinazoline

Database identifiers

PubChem CID: 58960219

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 80.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 24
Formal charge: 0
Complexity: 443

Related reactions

12 records

New reaction record

HRID 187419As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 830530As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 837152As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 916411As reactantuspto-grants-2007_09

HRID 916413As productuspto-grants-2007_09

HRID 916467As reactantuspto-grants-2007_09

HRID 916469As reactantuspto-grants-2007_09

HRID 1550594As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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