Basic information
- Standard SMILES
COC(=O)CC1c2cccc(F)c2N=C(N2CCN(c3ccc(F)c(C)c3)CC2)N1c1cc(C(F)(F)F)ccc1OC- InChIKey
CUCYIGYTDGGHIU-UHFFFAOYSA-N- Molecular formula
- C30H29F5N4O3
- Average molar mass
- 588.6 g/mol
Names & identifiers
- Preferred name
- Methyl {8-fluoro-2-[4-(4-fluoro-3-methylphenyl)-1-piperazinyl]-3-[6-methoxy-3-(trifluoromethyl)phenyl]-3,4-dihydro-4-quinazolinyl}acetate
- IUPAC
- methyl 2-[8-fluoro-2-[4-(4-fluoro-3-methylphenyl)piperazin-1-yl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]-4H-quinazolin-4-yl]acetate
Names & synonyms
Methyl {8-fluoro-2-[4-(4-fluoro-3-methylphenyl)-1-piperazinyl]-3-[6-methoxy-3-(trifluoromethyl)phenyl]-3,4-dihydro-4-quinazolinyl}acetateSCHEMBL14427620SCHEMBL30578186methyl {8-fluoro-2-[4-(4-fluoro-3-methylphenyl)-1 -piperazinyl]-3-[6-methoxy-3-(trifluoro-methyl)phenyl]-3,4-dihydro-4-quinazolinyl}acetateMethyl {8-fluoro-2-[4-(4-fluoro-3-methylphenyl)-1-piperazinyl]-3-[6-methoxy-3-(trifluoromethyl)-phenyl]-3,4-dihydro-4-quinazolinyl}acetateMethyl {8-fluoro-2-[4-(4-fluoro-3-methylphenyl)-1-piperazinyl]-3-[6-methoxy-3-(trifluoromethyl)phenyl]-3,4dihydro-4-quinazolinyl}acetate
Database identifiers
- PubChem CID
- 58824019
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 962
Related reactions
2 records
Compound notes
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