Basic information
- CAS
311813-41-9- Standard SMILES
CN(C)N1C(N)=C(C#N)C(c2ccc(Cl)cc2)C2=C1CC(C)(C)CC2=O- InChIKey
TVVFIQXLSZUGLZ-UHFFFAOYSA-N- Molecular formula
- C20H23ClN4O
- Average molar mass
- 370.9 g/mol
- Monoisotopic mass
- 370.1560391
Names & identifiers
- Preferred name
- 2-Amino-4-(4-chlorophenyl)-1-(dimethylamino)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
- IUPAC
- 2-amino-4-(4-chlorophenyl)-1-(dimethylamino)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
- English name
- 2-amino-4-(4-chlorophenyl)-1-(dimethylamino)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
- Molecular formula
- C20H23ClN4O
- Molecular weight
- 370.87582
Names & synonyms
2-amino-4-(4-chlorophenyl)-1-(dimethylamino)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrileOprea1_281234Oprea1_638635AKOS001639687AKOS0220019972-amino-4-(4-chlorophenyl)-1-(dimethylamino)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrileAN-919/40736430SR-01000490376SR-01000490376-1
Database identifiers
- CAS
311813-41-9- PubChem CID
- 3800829
- EC Number
- 135-081-2
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 73.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 719
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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