Basic information
- CAS
193754-25-5- Standard SMILES
O=C(Nc1nccs1)c1c(O)c2cccc3c2n(c1=O)CC3- InChIKey
MISSHFNKBBWFCQ-UHFFFAOYSA-N- Molecular formula
- C15H11N3O3S
- Average molar mass
- 313.3 g/mol
- Monoisotopic mass
- 313.05211239
Names & identifiers
- Preferred name
- 6-hydroxy-4-oxo-N-(thiazol-2-yl)-2,4-dihydro-1H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide
- IUPAC
- 9-hydroxy-11-oxo-N-(1,3-thiazol-2-yl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
- English name
- 6-hydroxy-4-oxo-N-(thiazol-2-yl)-2,4-dihydro-1H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide
- Molecular formula
- C15H11N3O3S
- Molecular weight
- 313.33
Names & synonyms
Oprea1_146578CHEMBL4646445STL148417AKOS005748534AKOS0244074716-hydroxy-4-oxo-N-(thiazol-2-yl)-2,4-dihydro-1H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide4-hydroxy-6-oxo-N-(1,3-thiazol-2-yl)-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide6-HYDROXY-4-OXO-N-(1,3-THIAZOL-2-YL)-1,2-DIHYDRO-4H-PYRROLO[3,2,1-IJ]QUINOLINE-5-CARBOXAMIDE4H-Pyrrolo[3,2,1-ij]quinoline-5-carboxamide, 1,2-dihydro-6-hydroxy-4-oxo-N-2-thiazolyl-
Database identifiers
- CAS
193754-25-5- PubChem CID
- 54677404
- ChEMBL
CHEMBL4646445- EC Number
- 125-808-1
- Nikkaji
- J850.751A
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 550
Chemistry & industry
Suppliers3 total
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
OTAVA-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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