2-Chloro-4-((6,7-dimethoxyquinazolin-4-yl)oxy)aniline

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Basic information

Standard SMILES: COc1cc2ncnc(Oc3ccc(N)c(Cl)c3)c2cc1OC
InChIKey: JWNJXRODWCORFX-UHFFFAOYSA-N
Molecular formula: C16H14ClN3O3
Average molar mass: 331.75 g/mol

Names & identifiers

Preferred name: 2-Chloro-4-((6,7-dimethoxyquinazolin-4-yl)oxy)aniline
IUPAC: 2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyaniline

Names & synonyms

2-chloro-4-((6,7-dimethoxyquinazolin-4-yl)oxy)aniline286371-63-92-Chloro-4-[(6,7-dimethoxy-4-quinazolinyl)oxy)-aniline2-Chloro-4-[(6,7-dimethoxy-4-quinazolinyl)oxy]-anilineSCHEMBL4668514SCHEMBL31616965JWNJXRODWCORFX-UHFFFAOYSA-NMFCD20265953F805712-Chloro-4-[(6,7-dimethoxy-4-quinazolinyl)oxy]aniline2-chloro-4-[ (6,7-dimethoxy-4-quinazolinyl)oxy]aniline2-Chloro-4-[(6,7-dimethoxy-4-quinazolinyl)-oxy]aniline

Show more names

Benzenamine, 2-chloro-4-[(6,7-dimethoxy-4-quinazolinyl)oxy]-

Database identifiers

PubChem CID: 21889899

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 79.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 23
Formal charge: 0
Complexity: 390

Related reactions

142 records

New reaction record

HRID 99850As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 105179As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 167706As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 179084As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 299255As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 309683As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 309840As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 668184As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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