7-Benzyl-2-[2-(1H-indol-3-yl)ethyl]-2,7-naphthyridine-1,3(2H,7H)-dione
Basic information
- CAS
89651-72-9- Standard SMILES
O=c1cc2ccn(Cc3ccccc3)cc-2c(=O)n1CCc1c[nH]c2ccccc12- InChIKey
OIZFODFQQRSIMD-UHFFFAOYSA-N- Molecular formula
- C25H21N3O2
- Average molar mass
- 395.5 g/mol
- Monoisotopic mass
- 395.16337692
Names & identifiers
- Preferred name
- 7-Benzyl-2-[2-(1H-indol-3-yl)ethyl]-2,7-naphthyridine-1,3(2H,7H)-dione
- IUPAC
- 7-benzyl-2-[2-(1H-indol-3-yl)ethyl]-2,7-naphthyridine-1,3-dione
- English name
- 7-benzyl-2-[2-(1H-indol-3-yl)ethyl]-2,7-naphthyridine-1,3-dione
- Molecular formula
- C25H21N3O2
- Molecular weight
- 395.45
Names & synonyms
89651-72-9NSC361603DTXSID403205777-Benzyl-2-[2-(1H-indol-3-yl)ethyl]-2,7-naphthyridine-1,3(2H,7H)-dioneNSC-3616037-benzyl-2-[2-(1H-indol-3-yl)ethyl]-2,7-naphthyridine-1,3-dione2,7-Naphthyridine-1,3(2H,7H)-dione, 2-[2-(1H-indol-3-yl)ethyl]-7-(phenylmethyl)-
Database identifiers
- CAS
89651-72-9- PubChem CID
- 338536
- DTXSID
DTXSID40320577
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 56.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 777
Physicochemical properties
- Boiling point
- 649 · 649.0±55.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 17.1 · 17.10±0.30(Predicted)
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Compound notes
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