N-(3-methoxyphenyl)quinazolin-4-amine
Basic information
- CAS
169205-52-1- Standard SMILES
COc1cccc(Nc2ncnc3ccccc23)c1- InChIKey
LCYPRFCDTJTQPG-UHFFFAOYSA-N- Molecular formula
- C15H13N3O
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.10586205
Overview
N-(3-methoxyphenyl)quinazolin-4-amine is a member of the class of quinazolines that is quinazoline which is substituted by a (3-methoxyphenyl)nitrilo group at position 4. It is a monomethoxybenzene, a member of quinazolines, a substituted aniline and a secondary amino compound.
Names & identifiers
- Preferred name
- N-(3-methoxyphenyl)quinazolin-4-amine
- IUPAC
- N-(3-methoxyphenyl)quinazolin-4-amine
- English name
- N-(3-methoxyphenyl)quinazolin-4-amine hydrochloride
- Molecular formula
- C15H14ClN3O
- Molecular weight
- 287.75
Names & synonyms
N-(3-methoxyphenyl)quinazolin-4-amine169205-52-1N-(3-methoxyphenyl)-4-quinazolinamineKinome_1314Oprea1_417325Oprea1_806167BDBM3261CHEMBL117697SCHEMBL90170434-(3-Methoxyanilino)quinazoline4-Anilino quinazoline deriv. 12CHEBI:103948
Show more names
N-(3-methoxyphenyl)quinazolin-4-amine hydrochloride
DTXSID001015646EBC-07592STK843631(3-methoxyphenyl)quinazolin-4-ylamineAKOS000540105CCG-109424EU-0074573ST50191373
Database identifiers
- CAS
169205-52-1- PubChem CID
- 712193
- DTXSID
DTXSID001015646- ChEMBL
CHEMBL117697- ChEBI
CHEBI:103948- Nikkaji
- J3.289.856D
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 47 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 287
Chemistry & industry
Additional notes
DefinitionChEBI: N-(3-methoxyphenyl)quinazolin-4-amine is a member of the class of quinazolines that is quinazoline which is substituted by a (3-methoxyphenyl)nitrilo group at position 4. It is a member of quinazolines, a secondary amino compound, a substituted aniline and a monomethoxybenzene.
Related reactions
0 records
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Compound notes
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