Ethyl 4-cyano-3-methyl-5-{[(2-phenyl-4-quinolinyl)carbonyl]amino}-2-thiophenecarboxylate
Basic information
- CAS
353766-94-6- Standard SMILES
CCOC(=O)c1sc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C#N)c1C- InChIKey
HXEHNYSFNSVPOV-UHFFFAOYSA-N- Molecular formula
- C25H19N3O3S
- Average molar mass
- 441.5 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-cyano-3-methyl-5-{[(2-phenyl-4-quinolinyl)carbonyl]amino}-2-thiophenecarboxylate
- IUPAC
- ethyl 4-cyano-3-methyl-5-[(2-phenylquinoline-4-carbonyl)amino]thiophene-2-carboxylate
- English name
- ethyl 4-cyano-3-methyl-5-{[(2-phenyl-4-quinolinyl)carbonyl]amino}-2-thiophenecarboxylate
- Molecular formula
- C25H19N3O3S
- Molecular weight
- 441.50166
Names & synonyms
MLS000543555ethyl 4-cyano-3-methyl-5-{[(2-phenyl-4-quinolinyl)carbonyl]amino}-2-thiophenecarboxylateSMR000159404ethyl 4-cyano-3-methyl-5-[(2-phenylquinoline-4-carbonyl)amino]thiophene-2-carboxylateOprea1_370811CHEMBL1500274BDBM89982cid_1009130HMS2288L13STK418580AKOS003273993MLS-0092719.0001
Show more names
AK-968/12573122ethyl 4-cyano-3-methyl-5-[(2-phenylquinolin-4-yl)carbonylamino]thiophene-2-carboxylateethyl 4-cyano-3-methyl-5-{[(2-phenyl-4-quinolyl)carbonyl]amino}-2-thiophenecarboxylateethyl 4-cyano-3-methyl-5-{[(2-phenylquinolin-4-yl)carbonyl]amino}thiophene-2-carboxylate4-cyano-3-methyl-5-[(2-phenylquinoline-4-carbonyl)amino]thiophene-2-carboxylic acid ethyl ester4-cyano-3-methyl-5-[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]-2-thiophenecarboxylic acid ethyl ester
Database identifiers
- CAS
353766-94-6- ChEMBL
CHEMBL1500274
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 731
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…