N-[(8-hydroxy-5-nitroquinolin-7-yl)-thiophen-2-ylmethyl]-2-methylpropanamide
Basic information
- CAS
683806-41-9- Standard SMILES
CC(C)C(=O)NC(c1cccs1)c1cc([N+](=O)[O-])c2cccnc2c1O- InChIKey
UGVXTILPQFDWHE-UHFFFAOYSA-N- Molecular formula
- C18H17N3O4S
- Average molar mass
- 371.4 g/mol
- Monoisotopic mass
- 371.09397721
Names & identifiers
- Preferred name
- N-[(8-hydroxy-5-nitroquinolin-7-yl)-thiophen-2-ylmethyl]-2-methylpropanamide
- IUPAC
- N-[(8-hydroxy-5-nitroquinolin-7-yl)-thiophen-2-ylmethyl]-2-methylpropanamide
Names & synonyms
SMR000197489683806-41-9N-[(8-hydroxy-5-nitroquinolin-7-yl)-thiophen-2-ylmethyl]-2-methylpropanamideMLS000577379N-[(8-hydroxy-5-nitro-7-quinolinyl)(2-thienyl)methyl]-2-methylpropanamideSCHEMBL1541934CHEMBL1377316BDBM57498cid_2929633DTXSID80387881N-[(8-HYDROXY-5-NITROQUINOLIN-7-YL)(THIOPHEN-2-YL)METHYL]-2-METHYLPROPANAMIDEHMS2522L04
Show more names
AKOS001655339AKOS022003773EU-00809312-methyl-N-[(5-nitro-8-oxidanyl-quinolin-7-yl)-thiophen-2-yl-methyl]propanamideN-[(8-hydroxy-5-nitro-7-quinolinyl)-thiophen-2-ylmethyl]-2-methylpropanamideN-[(8-hydroxy-5-nitro-7-quinolyl)-(2-thienyl)methyl]-2-methyl-propionamide
Database identifiers
- CAS
683806-41-9- PubChem CID
- 2929633
- DTXSID
DTXSID80387881- ChEMBL
CHEMBL1377316
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 527
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Related reactions
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Compound notes
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