Basic information
- CAS
311798-62-6- Standard SMILES
CCOC(=O)c1c(N2C(N)=C(C#N)C(c3ccc(F)cc3)C3=C2CC(C)(C)CC3=O)sc2c1CCCC2- InChIKey
PEIDLAIKXUIJFD-UHFFFAOYSA-N- Molecular formula
- C29H30FN3O3S
- Average molar mass
- 519.6 g/mol
- Monoisotopic mass
- 519.19919116
Names & identifiers
- Preferred name
- ethyl 2-[2-amino-3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- IUPAC
- ethyl 2-[2-amino-3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- English name
- ethyl 2-(2-amino-3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-1(4H)-quinolinyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- Molecular formula
- C29H30FN3O3S
- Molecular weight
- 519.6302032
Names & synonyms
ethyl 2-(2-amino-3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-1(4H)-quinolinyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateethyl 2-[2-amino-3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateSTK757321AKOS001701932AKOS022012983ethyl 2-[2-amino-3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinolin-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateAG-205/37049069SR-01000518606SR-01000518606-1
Database identifiers
- CAS
311798-62-6- PubChem CID
- 3589985
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,070
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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