Basic information
- CAS
445243-91-4- Standard SMILES
COc1ccc(C2C(C#N)=C(N)N(c3ccc(Cl)c(Cl)c3)C3=C2C(=O)CCC3)cc1COc1ccccc1[N+](=O)[O-]- InChIKey
XZHCRZUPGFZBCG-UHFFFAOYSA-N- Molecular formula
- C30H24Cl2N4O5
- Average molar mass
- 591.4 g/mol
Names & identifiers
- Preferred name
- 2-Amino-1-(3,4-dichlorophenyl)-4-[4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
- IUPAC
- 2-amino-1-(3,4-dichlorophenyl)-4-[4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
- English name
- 2-amino-1-(3,4-dichlorophenyl)-4-[3-({2-nitrophenoxy}methyl)-4-methoxyphenyl]-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
- Molecular formula
- C30H24Cl2N4O5
- Molecular weight
- 591.44136
Names & synonyms
2-amino-1-(3,4-dichlorophenyl)-4-[3-({2-nitrophenoxy}methyl)-4-methoxyphenyl]-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrileAK-968/41025667STL173144AKOS0053685422-amino-1-(3,4-dichlorophenyl)-4-[4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile2-amino-1-(3,4-dichlorophenyl)-4-{4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Database identifiers
- CAS
445243-91-4
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,130
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
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Compound notes
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