CID 224641
Basic information
- CAS
5428-79-5- Standard SMILES
COc1cc(NC(C)CCCNC(C)C)c2ncccc2c1OC.O=C(O)C(=O)O- InChIKey
GYBWDZPQFOLZTD-UHFFFAOYSA-N- Molecular formula
- C21H31N3O6
- Average molar mass
- 421.5 g/mol
- Monoisotopic mass
- 421.22128572
Names & identifiers
- Preferred name
- CID 224641
- IUPAC
- 4-N-(5,6-dimethoxyquinolin-8-yl)-1-N-propan-2-ylpentane-1,4-diamine;oxalic acid
Names & synonyms
MLS002638314NSC133145428-79-5CHEMBL1357064NSC-13314SMR001547801
Database identifiers
- CAS
5428-79-5- PubChem CID
- 224641
- ChEMBL
CHEMBL1357064
Properties
Computed structural properties
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 425
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…