6-[3-(methylamino)phenyl]-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
Basic information
- CAS
158598-58-4- Standard SMILES
CNc1cccc(-c2cc(=O)c3cc4c(cc3[nH]2)OCO4)c1- InChIKey
VOXJCRDGCUAZJE-UHFFFAOYSA-N- Molecular formula
- C17H14N2O3
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.10044231
Names & identifiers
- Preferred name
- 6-[3-(methylamino)phenyl]-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
- IUPAC
- 6-[3-(methylamino)phenyl]-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
Names & synonyms
CHEMBL49559158598-58-46-[3-(methylamino)phenyl]-5H-[1,3]dioxolo[4,5-g]quinolin-8-oneNSC656156Neuro_000374SCHEMBL8980291DTXSID20327428BDBM50037459NSC-656156NCI60_0194201,5-g]quinolin-8(5H)-one, 6-[(3-methylamino)phenyl]-6-(3-Methylamino-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
Show more names
6-[3-(Methylamino)phenyl]-2H-[1,3]dioxolo[4,5-g]quinolin-8(5H)-one
Database identifiers
- CAS
158598-58-4- PubChem CID
- 375858
- DTXSID
DTXSID20327428- ChEMBL
CHEMBL49559- Nikkaji
- J622.560H
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 479
Related reactions
0 records
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Compound notes
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