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Basic information
- Standard SMILES
N#Cc1cnc2ccc(/C=C3\SC(N)=NC3=O)cc2c1OC1CCOCC1- InChIKey
FSNIECGFEVRSQC-PXNMLYILSA-N- Molecular formula
- C19H16N4O3S
- Average molar mass
- 380.4 g/mol
- Monoisotopic mass
- 380.09431156
Names & identifiers
- Preferred name
- 6-[2-Amino-4-oxo-4h-thiazol-(5z)-ylidenemethyl]-4-(tetrahydro-pyran-4-yloxy)-quinoline-3-carbonitrile
- IUPAC
- 6-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-4-(oxan-4-yloxy)quinoline-3-carbonitrile
Names & synonyms
FSNIECGFEVRSQC-PXNMLYILSA-N6-[2-amino-4-oxo-4h-thiazol-(5z)-ylidenemethyl]-4-(tetrahydro-pyran-4-yloxy)-quinoline-3-carbonitrile
Database identifiers
- PubChem CID
- 11660902
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 694
Related reactions
1 records
Compound notes
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