Basic information
- CAS
5978-63-2- Standard SMILES
CC(=O)OCc1cc(=O)n(C=O)c2cc3c(cc12)c(C)cc(=O)n3C- InChIKey
ZIIOVWNQBWGLMP-UHFFFAOYSA-N- Molecular formula
- C18H16N2O5
- Average molar mass
- 340.3 g/mol
- Monoisotopic mass
- 340.10592162
Names & identifiers
- Preferred name
- (1-Formyl-6,9-dimethyl-2,8-dioxo-1,2,8,9-tetrahydropyrido(3,2-g)quinolin-4-yl)methyl acetate
- IUPAC
- (1-formyl-6,9-dimethyl-2,8-dioxopyrido[3,2-g]quinolin-4-yl)methyl acetate
- English name
- 1-Formyl-1,2,8,9-tetrahydro-6,9-dimethyl-2,8-dioxopyrido[3,2-g]quinoline-4-ylmethyl=acetate
- Molecular formula
- C18H16N2O5
- Molecular weight
- 340.33
Names & synonyms
5978-63-2DTXSID50975193(1-Formyl-6,9-dimethyl-2,8-dioxo-1,2,8,9-tetrahydropyrido(3,2-g)quinolin-4-yl)methyl acetate(1-Formyl-6,9-dimethyl-2,8-dioxo-1,2,8,9-tetrahydropyrido[3,2-g]quinolin-4-yl)methyl acetateRefChem:1049256DTXCID101402602Pyrido(3,2-g)quinoline-1(2H)carboxaldehyde, 8,9-dihydro-6,9-dimethyl-2,8-dioxo-4-(hydroxymethyl)-, acetateNybomycin acetate1-Formyl-1,2,8,9-tetrahydro-6,9-dimethyl-2,8-dioxopyrido[3,2-g]quinoline-4-ylmethyl=acetatePyrido[3,2-g]quinoline-1(2H)-carboxaldehyde, 4-[(acetyloxy)methyl]-8,9-dihydro-6,9-dimethyl-2,8-dioxo-
Database identifiers
- CAS
5978-63-2- PubChem CID
- 201438
- DTXSID
DTXSID50975193- Nikkaji
- J66.670J
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 84 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 696
Physicochemical properties
- Boiling point
- 531.474 · 531.474±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.39 · 1.390±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -0.36 · -0.360±0.60(predicted)
- FDA UNII
- 0 R283XR4M · Q0R283XR4M
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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