Basic information
- CAS
59288-17-4- Standard SMILES
CN1CCN(c2c(N)c(=O)oc3ccccc23)CC1- InChIKey
OZISUROFJWDSRG-UHFFFAOYSA-N- Molecular formula
- C14H17N3O2
- Average molar mass
- 259.3 g/mol
- Monoisotopic mass
- 259.13207679
Names & identifiers
- Preferred name
- Coumarin, 3-amino-4-(4-methyl-1-piperazinyl)-
- IUPAC
- 3-amino-4-(4-methylpiperazin-1-yl)chromen-2-one
Names & synonyms
59288-17-43-Amino-4-(4-methyl-1-piperazinyl)coumarinBRN 0891257COUMARIN, 3-AMINO-4-(4-METHYL-1-PIPERAZINYL)-DTXSID302080125-23-02-00494 (Beilstein Handbook Reference)RefChem:334403DTXCID501305033-Amino-4-(4-methylpiperazin-1-yl)-2H-chromen-2-one3-AMINO-4-(4-METHYL-(PIPERAZIN-1-YL))COUMARIN3-amino-4-(4-methyl-1-piperazinyl)-2H-chromen-2-oneOprea1_516611
Show more names
Oprea1_805500CBDivE_003475MLS000532154CHEMBL1329075SCHEMBL10032003HMS1578C20HMS2503E24AKOS001586392
Database identifiers
- CAS
59288-17-4- PubChem CID
- 43003
- DTXSID
DTXSID30208012- ChEMBL
CHEMBL1329075- Nikkaji
- J67.659D
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 58.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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