Basic information
- CAS
775314-36-8- Standard SMILES
O=C(CSc1nc2ccccc2c(=O)n1CCCN1CCOCC1)Nc1ccc(F)c(Cl)c1- InChIKey
QQLLIBIPIWXTLZ-UHFFFAOYSA-N- Molecular formula
- C23H24ClFN4O3S
- Average molar mass
- 491 g/mol
- Monoisotopic mass
- 490.1241677
Names & identifiers
- Preferred name
- N-(3-chloro-4-fluorophenyl)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
- IUPAC
- N-(3-chloro-4-fluorophenyl)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Names & synonyms
MLS002244872N-(3-chloro-4-fluorophenyl)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamideCHEMBL1701151DTXSID601327112HMS3061I08AKOS033715799775314-36-8SMR001308545Z19837762N-(3-chloro-4-fluorophenyl)-2-({3-[3-(morpholin-4-yl)propyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide
Database identifiers
- CAS
775314-36-8- PubChem CID
- 2117331
- DTXSID
DTXSID601327112- ChEMBL
CHEMBL1701151
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 99.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 724
Experimental & physicochemical properties
Solubility18.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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