Tri-1',5',5'-N,N,N-mono-8'-O-methylstreptonigrone
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Basic information
- CAS
140458-70-4- Standard SMILES
COC1=C(N)C(=O)c2nc(-c3c(N(C)C)c(-c4ccc(OC)c(OC)c4OC)c(C)c(=O)n3C)ccc2C1=O- InChIKey
YYGDZXGKAQGKHH-UHFFFAOYSA-N- Molecular formula
- C28H30N4O7
- Average molar mass
- 534.6 g/mol
- Monoisotopic mass
- 534.21144931
Names & identifiers
- Preferred name
- Tri-1',5',5'-N,N,N-mono-8'-O-methylstreptonigrone
- IUPAC
- 7-amino-2-[3-(dimethylamino)-1,5-dimethyl-6-oxo-4-(2,3,4-trimethoxyphenyl)-2-pyridinyl]-6-methoxyquinoline-5,8-dione
- English name
- tri-1',5',5'-N,N,N-mono-8'-O-methylstreptonigrone
- Molecular formula
- C28H30N4O7
- Molecular weight
- 534.5604
Names & synonyms
Tetrame-streptonigroneTri-1',5',5'-N,N,N-mono-8'-O-methylstreptonigrone140458-70-4DTXSID40161402RefChem:190782DTXCID9083893N(1'),N(5'),N(5'),O(8')-Tetramethylstreptonigrone7-amino-2-[3-(dimethylamino)-1,5-dimethyl-6-oxo-4-(2,3,4-trimethoxyphenyl)-1,6-dihydropyridin-2-yl]-6-methoxyquinoline-5,8-dione
Database identifiers
- CAS
140458-70-4- PubChem CID
- 196902
- DTXSID
DTXSID40161402
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,130
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