Basic information
- CAS
139482-43-2- Standard SMILES
O=c1c2c(ncn2Cc2ccc([N+](=O)[O-])cc2)c2cccnc2n1-c1ccccc1- InChIKey
DPZVVCMURSDJLD-UHFFFAOYSA-N- Molecular formula
- C22H15N5O3
- Average molar mass
- 397.4 g/mol
- Monoisotopic mass
- 397.11748936
Names & identifiers
- Preferred name
- 4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-3-(2-hydroxypropyl)-5-phenyl-, hydrate
- IUPAC
- 3-[(4-nitrophenyl)methyl]-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one
Names & synonyms
4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-3-(2-hydroxypropyl)-5-phenyl-, hydrate3,5-Dihydro-3-(2-hydroxypropyl)-5-phenyl-4H-imidazo(4,5-c)(1,8)naphthyridin-4-one hydrate139482-43-2DTXSID30161072RefChem:297538DTXCID8083563CHEMBL97645SCHEMBL72711253-[(4-Nitrophenyl)methyl]-5-phenyl-3,5-dihydro-4H-imidazo[4,5-c][1,8]naphthyridin-4-one
Database identifiers
- CAS
139482-43-2- PubChem CID
- 3071981
- DTXSID
DTXSID30161072- ChEMBL
CHEMBL97645- Nikkaji
- J496.827A
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 96.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 641
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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