Basic information
- CAS
223661-25-4- Standard SMILES
COc1cc(NC(C)CCCNC2=C(C(C)=O)CCO2)c2ncccc2c1- InChIKey
VBWGPCJBCKMMKS-UHFFFAOYSA-N- Molecular formula
- C21H27N3O3
- Average molar mass
- 369.5 g/mol
- Monoisotopic mass
- 369.20524173
Names & identifiers
- Preferred name
- 1-[2-({4-[(6-Methoxyquinolin-8-yl)amino]pentyl}amino)-4,5-dihydrofuran-3-yl]ethanone
- IUPAC
- 1-[5-[4-[(6-methoxyquinolin-8-yl)amino]pentylamino]-2,3-dihydrofuran-4-yl]ethanone
- English name
- (3E)-3-[1-[4-[(6-methoxyquinolin-8-yl)amino]pentylamino]ethylidene]oxolan-2-one
- Molecular formula
- C21H27N3O3
- Molecular weight
- 0
Names & synonyms
1-[2-({4-[(6-Methoxyquinolin-8-yl)amino]pentyl}amino)-4,5-dihydrofuran-3-yl]ethanone223661-25-41-[5-[4-[(6-methoxyquinolin-8-yl)amino]pentylamino]-2,3-dihydrofuran-4-yl]ethanone1-[2-({4-[(6-methoxyquinolin-8-yl)amino]pentyl}amino)-4,5-dihydrofuran-3-yl]ethan-1-one1-[5-[4-[(6-methoxy-8-quinolyl)amino]pentylamino]-2,3-dihydrofuran-4-yl]ethanoneUnii-tsq6U39Q3gBulaquine [inn](3E)-3-[1-[4-[(6-methoxyquinolin-8-yl)amino]pentylamino]ethylidene]oxolan-2-one
Database identifiers
- CAS
223661-25-4- PubChem CID
- 456322
- DTXSID
DTXSID8040983- Nikkaji
- J362.157J
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 537
Physicochemical properties
- FDA UNII
- 6 U39Q3G · TSQ6U39Q3G
Chemistry & industry
Suppliers1 total
北京华美互利生物化工010-56205725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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