Basic information
- CAS
1154989-55-5- Standard SMILES
CC(O)CNc1cc2c(cc1[N+](=O)[O-])NC(=O)CC2- InChIKey
QRYHSABSNTUWLD-UHFFFAOYSA-N- Molecular formula
- C12H15N3O4
- Average molar mass
- 265.26 g/mol
- Monoisotopic mass
- 265.10625597
Names & identifiers
- Preferred name
- 2(1H)-Quinolinone, 3,4-dihydro-6-[(2-hydroxypropyl)amino]-7-nitro-
- IUPAC
- 6-(2-hydroxypropylamino)-7-nitro-3,4-dihydro-1H-quinolin-2-one
Names & synonyms
DTXSID3011644102(1H)-Quinolinone, 3,4-dihydro-6-[(2-hydroxypropyl)amino]-7-nitro-1154989-55-56-[(2-Hydroxypropyl)amino]-7-nitro-3,4-dihydroquinolin-2(1H)-one
Database identifiers
- CAS
1154989-55-5- PubChem CID
- 43500250
- DTXSID
DTXSID301164410
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 357
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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