Butanamide, N-(2-(fluoromethyl)-3,4-dihydro-3-(2-methylphenyl)-4-oxo-6-quinazolinyl)-, hydrate
Basic information
- CAS
65872-81-3- Standard SMILES
CCCC(=O)Nc1ccc2nc(CF)n(-c3ccccc3C)c(=O)c2c1.O- InChIKey
YFKYVTSQMSDASF-UHFFFAOYSA-N- Molecular formula
- C20H22FN3O3
- Average molar mass
- 371.4 g/mol
- Monoisotopic mass
- 371.16451973
Names & identifiers
- Preferred name
- Butanamide, N-(2-(fluoromethyl)-3,4-dihydro-3-(2-methylphenyl)-4-oxo-6-quinazolinyl)-, hydrate
- IUPAC
- N-[2-(fluoromethyl)-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]butanamide;hydrate
Names & synonyms
65872-81-3Butanamide, N-(2-(fluoromethyl)-3,4-dihydro-3-(2-methylphenyl)-4-oxo-6-quinazolinyl)-, hydrate6-Butyrylamino-2-fluoromethyl-3-(o-tolyl)-4(3H)-quinazolinone hydrateDTXSID30216051RefChem:330466DTXCID30138542N-[2-(Fluoromethyl)-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-6-yl]butanamide--water (1/1)
Database identifiers
- CAS
65872-81-3- PubChem CID
- 63486
- DTXSID
DTXSID30216051
Properties
Computed structural properties
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 565
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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