Basic information
- CAS
144485-91-6- Standard SMILES
Cc1ccc2c(=O)n(-c3cc(C)no3)c(C)nc2c1- InChIKey
BJEDFOOIYKSMAL-UHFFFAOYSA-N- Molecular formula
- C14H13N3O2
- Average molar mass
- 255.27 g/mol
- Monoisotopic mass
- 255.10077667
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 2,7-dimethyl-3-(3-methyl-5-isoxazolyl)-
- IUPAC
- 2,7-dimethyl-3-(3-methyl-1,2-oxazol-5-yl)quinazolin-4-one
Names & synonyms
BRN 53459264(3H)-Quinazolinone, 2,7-dimethyl-3-(3-methyl-5-isoxazolyl)-144485-91-62,7-Dimethyl-3-(3-methyl-5-isoxazolyl)-4(3H)-quinazolinoneDTXSID90162727RefChem:283771DTXCID80852182,7-dimethyl-3-(3-methyl-1,2-oxazol-5-yl)quinazolin-4(3h)-one
Database identifiers
- CAS
144485-91-6- PubChem CID
- 64014
- DTXSID
DTXSID90162727- Nikkaji
- J481.113E
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 409
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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