Thieno[2,3-c]quinolin-4(5H)-one, 8-[(3S)-3-amino-1-pyrrolidinyl]-2-(4-hydroxyphenyl)-
Basic information
- CAS
1338535-94-6- Standard SMILES
N[C@H]1CCN(c2ccc3[nH]c(=O)c4sc(-c5ccc(O)cc5)cc4c3c2)C1- InChIKey
MMYHBULUVREXPP-ZDUSSCGKSA-N- Molecular formula
- C21H19N3O2S
- Average molar mass
- 377.5 g/mol
- Monoisotopic mass
- 377.11979803
Names & identifiers
- Preferred name
- Thieno[2,3-c]quinolin-4(5H)-one, 8-[(3S)-3-amino-1-pyrrolidinyl]-2-(4-hydroxyphenyl)-
- IUPAC
- 8-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-hydroxyphenyl)-5H-thieno[2,3-c]quinolin-4-one
Names & synonyms
CHEMBL3667201SCHEMBL15092520DTXSID601127938Thieno[2,3-c]quinolin-4(5H)-one, 8-[(3S)-3-amino-1-pyrrolidinyl]-2-(4-hydroxyphenyl)-1338535-94-68-[(3S)-3-Aminopyrrolidin-1-yl]-2-(4-hydroxyphenyl)thieno[2,3-c]quinolin-4(5H)-one
Database identifiers
- CAS
1338535-94-6- PubChem CID
- 53472573
- DTXSID
DTXSID601127938- ChEMBL
CHEMBL3667201
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 568
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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