4-Quinazolinamine, 6-(2-naphthalenylsulfinyl)-
Basic information
- CAS
52979-17-6- Standard SMILES
Nc1ncnc2ccc(S(=O)c3ccc4ccccc4c3)cc12- InChIKey
WKTNHYNLNBRPTF-UHFFFAOYSA-N- Molecular formula
- C18H13N3OS
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.07793322
Names & identifiers
- Preferred name
- 4-Quinazolinamine, 6-(2-naphthalenylsulfinyl)-
- IUPAC
- 6-naphthalen-2-ylsulfinylquinazolin-4-amine
Names & synonyms
52979-17-64-Quinazolinamine, 6-(2-naphthalenylsulfinyl)-DTXSID90347577RefChem:296205DTXCID202986496-(Naphthalen-2-ylsulfinyl)quinazolin-4-amine6-(NAPHTHALENE-2-SULFINYL)QUINAZOLIN-4-AMINECHEMBL269589WKTNHYNLNBRPTF-UHFFFAOYSA-N4-Amino-6-[2-naphthylsulfinyl]quinazoline6-(2-Naphthylsulfinyl)-4-quinazolinamine #
Database identifiers
- CAS
52979-17-6- PubChem CID
- 623173
- DTXSID
DTXSID90347577- ChEMBL
CHEMBL269589
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 446
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Compound notes
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