1-(1-Phenylpyrazolo[4,3-b]quinoxalin-3-yl)butane-1,2,3,4-tetrol

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Basic information

CAS: 31504-90-2
Standard SMILES: OCC(O)C(O)C(O)c1nn(-c2ccccc2)c2nc3ccccc3nc12
InChIKey: LABBLXXRSWREEJ-UHFFFAOYSA-N
Molecular formula: C19H18N4O4
Average molar mass: 366.4 g/mol
Monoisotopic mass: 366.13280507

Names & identifiers

Preferred name: 1-(1-Phenylpyrazolo[4,3-b]quinoxalin-3-yl)butane-1,2,3,4-tetrol
IUPAC: 1-(1-phenylpyrazolo[4,3-b]quinoxalin-3-yl)butane-1,2,3,4-tetrol
English name: (1R,2S,3R)-1-[1-Phenyl-1H-pyrazolo[3,4-b]quinoxalin-3-yl]-1,2,3,4-butanetetrol
Molecular formula: C19H18N4O4
Molecular weight: 366.37

Names & synonyms

31504-90-2NSC3513341-(1-phenylpyrazolo[4,3-b]quinoxalin-3-yl)butane-1,2,3,4-tetrol1,2,3,4-Butanetetrol, 1-(1-phenyl-1H-pyrazolo[3,4-b]quinoxalin-3-yl)-, [1R-(1R*,2S*,3R*)]-DTXSID70319853LABBLXXRSWREEJ-UHFFFAOYSA-NNSC-3513341,2,3,4-Butanetetrol, 1-(1-phenyl-1H-pyrazolo[3,4-b]quinoxalin-3-yl)-, D-arabino-1-(1-Phenyl-1H-pyrazolo[3,4-b]quinoxalin-3-yl)-1,2,3,4-butanetetrol #1-(1-Phenyl-1H-pyrazolo[3,4-b]quinoxalin-3-yl)butane-1,2,3,4-tetrol(1R,2S,3R)-1-[1-Phenyl-1H-pyrazolo[3,4-b]quinoxalin-3-yl]-1,2,3,4-butanetetrol1,3,4-Butanetetrol, 1-(1-phenyl-1H-pyrazolo[3,4-b]quinoxalin-3-yl)-, D-arabino-

Show more names

1,2,3,4-Butanetetrol, 1-(1-phenyl-1H-pyrazolo[3,4-b]quinoxalin-3-yl)-, (1R,2S,3R)-

1,3,4-Butanetetrol, 1-(1-phenyl-1H-pyrazolo[3,4-b]quinoxalin-3-yl)-, [1R-(1R*,2S*,3R*)]-

Database identifiers

CAS: 31504-90-2
PubChem CID: 336568
DTXSID: DTXSID70319853

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 125 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 27
Formal charge: 0
Complexity: 492

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Compound notes

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