1-[2-[(1-Ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]propanoylamino]ethylphosphonic acid
Basic information
- CAS
81070-52-2- Standard SMILES
CCn1cc(C(=O)NC(C)C(=O)NC(C)P(=O)(O)O)c(=O)c2ccc(C)nc21- InChIKey
SUCWFTPCPCRUIQ-UHFFFAOYSA-N- Molecular formula
- C17H23N4O6P
- Average molar mass
- 410.4 g/mol
- Monoisotopic mass
- 410.13552146
Names & identifiers
- Preferred name
- 1-[2-[(1-Ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]propanoylamino]ethylphosphonic acid
- IUPAC
- 1-[2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]propanoylamino]ethylphosphonic acid
Names & synonyms
81070-52-2NSC3519691-[2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]propanoylamino]ethylphosphonic acidDTXSID50319937NSC-351969(1-{[N-(1-Ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carbonyl)alanyl]amino}ethyl)phosphonic acid
Database identifiers
- CAS
81070-52-2- PubChem CID
- 336765
- DTXSID
DTXSID50319937
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 720
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Compound notes
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