Basic information
- CAS
309282-87-9- Standard SMILES
COc1ccc(N2C(N)=C(C#N)C(c3ccc4c(c3)OCO4)C3=C2CC(C)(C)CC3=O)c(OC)c1- InChIKey
SWMLAYNPURUBKR-UHFFFAOYSA-N- Molecular formula
- C27H27N3O5
- Average molar mass
- 473.5 g/mol
- Monoisotopic mass
- 473.19507097
Names & identifiers
- Preferred name
- 2-Amino-4-(1,3-benzodioxol-5-yl)-1-(2,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
- IUPAC
- 2-amino-4-(1,3-benzodioxol-5-yl)-1-(2,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
- English name
- 2-amino-4-(1,3-benzodioxol-5-yl)-1-(2,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
- Molecular formula
- C27H27N3O5
- Molecular weight
- 473.52038
Names & synonyms
2-amino-4-(1,3-benzodioxol-5-yl)-1-(2,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrileChemDiv1_011821HMS620J07AKOS001726674AKOS0220158742-amino-4-(1,3-benzodioxol-5-yl)-1-(2,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrileAG-205/37175029SR-01000526242SR-01000526242-1
Database identifiers
- CAS
309282-87-9- PubChem CID
- 3696431
- EC Number
- 133-262-0
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 979
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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