Basic information
- CAS
139482-53-4- Standard SMILES
CC(O)Cn1cnc2c3cccnc3n(-c3ccccc3)c(=O)c21- InChIKey
HPWGTOWNNHWDPB-UHFFFAOYSA-N- Molecular formula
- C18H16N4O2
- Average molar mass
- 320.3 g/mol
- Monoisotopic mass
- 320.12732577
Names & identifiers
- Preferred name
- 4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-3-((4-nitrophenyl)methyl)-5-phenyl-, hydrate (2:1)
- IUPAC
- 3-(2-hydroxypropyl)-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one
Names & synonyms
3-(2-Hydroxypropyl)-5-phenyl-3H-imidazo(4,5-c)(1,8)naphthyridin-4(5H)-one139482-53-44H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-3-((4-nitrophenyl)methyl)-5-phenyl-, hydrate (2:1)RefChem:297534CHEMBL97209SCHEMBL7279851DTXSID709304863-(2-Hydroxypropyl)-5-phenyl-3,5-dihydro-4H-imidazo[4,5-c][1,8]naphthyridin-4-one
Database identifiers
- CAS
139482-53-4- PubChem CID
- 3071985
- DTXSID
DTXSID70930486- ChEMBL
CHEMBL97209- Nikkaji
- J496.837I
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 468
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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