3-amino-4-ethyl-N-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
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Basic information
- CAS
670271-35-9- Standard SMILES
CCc1c2c(nc3sc(C(=O)Nc4ccc(OC)cc4)c(N)c13)CC(C)(C)CC2=O- InChIKey
CJIGIAFRYROJHC-UHFFFAOYSA-N- Molecular formula
- C23H25N3O3S
- Average molar mass
- 423.5 g/mol
- Monoisotopic mass
- 423.16166284
Names & identifiers
- Preferred name
- 3-amino-4-ethyl-N-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
- IUPAC
- 3-amino-4-ethyl-N-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamide
- English name
- 3-amino-4-ethyl-N-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
- Molecular formula
- C23H25N3O3S
- Molecular weight
- 423.53
Names & synonyms
670271-35-93-amino-4-ethyl-N-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide3-amino-4-ethyl-N-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxamideF3394-00313-amino-4-ethyl-N-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxamideSMSSF-0027353AKOS000812296AQ-750/41790081SR-01000261395SR-01000261395-1Z275023654N-p-methoxyphenyl-6-amino-8-ethyl-12,12-dimethyl-10-oxo-4-thia-2-azatricyclo[7.4.0.0(3),]trideca-1,3(7),5,8-tetraene-5-carboxamide
Show more names
Thieno[2,3-b]quinoline-2-carboxamide, 3-amino-4-ethyl-5,6,7,8-tetrahydro-N-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 664
Physicochemical properties
- Boiling point
- 584.1 · 584.1±50.0 °C(Predicted)
- Density
- 1.299 · 1.299±0.06 g/cm3(Predicted)
- pka
- 11.02 · 11.02±0.70(Predicted)
Related reactions
0 records
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Compound notes
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