4(3H)-Quinazolinone, 6-chloro-3-(3-methyl-5-isoxazolyl)-
Basic information
- CAS
144485-82-5- Standard SMILES
Cc1cc(-n2cnc3ccc(Cl)cc3c2=O)on1- InChIKey
PXNBZIOAOHXQIM-UHFFFAOYSA-N- Molecular formula
- C12H8ClN3O2
- Average molar mass
- 261.66 g/mol
- Monoisotopic mass
- 261.0305042
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 6-chloro-3-(3-methyl-5-isoxazolyl)-
- IUPAC
- 6-chloro-3-(3-methyl-1,2-oxazol-5-yl)quinazolin-4-one
Names & synonyms
BRN 53452034(3H)-Quinazolinone, 6-chloro-3-(3-methyl-5-isoxazolyl)-144485-82-56-Chloro-3-(3-methyl-5-isoxazolyl)-4(3H)-quinazolinoneDTXSID00162718RefChem:284283DTXCID90852096-chloro-3-(3-methyl-1,2-oxazol-5-yl)quinazolin-4(3h)-one
Database identifiers
- CAS
144485-82-5- PubChem CID
- 63335
- DTXSID
DTXSID00162718- Nikkaji
- J481.110K
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 376
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Compound notes
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