7-fluoro-3-[(3R,5R,6R)-2,3,4,5,6,7-hexahydroxyheptyl]-1H-quinoxalin-2-one

C15H19FN2O7 — CID 147672843

IUPAC7-fluoro-3-[(3R,5R,6R)-2,3,4,5,6,7-hexahydroxyheptyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2cc(F)ccc2nc1CC(O)[C@@H](O)C(O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C15H19FN2O7/c16-6-1-2-7-8(3-6)18-15(25)9(17-7)4-10(20)12(22)14(24)13(23)11(21)5-19/h1-3,10-14,19-24H,4-5H2,(H,18,25)/t10?,11-,12-,13-,14?/m1/s1
InChIKeyGNOSFNGSDGESKM-DEULPLRUSA-N
MW358.32 g/mol
LogP-2.60
Rot. Bonds7

About 7-fluoro-3-[(3R,5R,6R)-2,3,4,5,6,7-hexahydroxyheptyl]-1H-quinoxalin-2-one

7-fluoro-3-[(3R,5R,6R)-2,3,4,5,6,7-hexahydroxyheptyl]-1H-quinoxalin-2-one (PubChem CID 147672843) has the molecular formula C15H19FN2O7 and a molecular weight of 358.32 g/mol. Its IUPAC name is 7-fluoro-3-[(3R,5R,6R)-2,3,4,5,6,7-hexahydroxyheptyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-fluoro-3-[(3R,5R,6R)-2,3,4,5,6,7-hexahydroxyheptyl]-1H-quinoxalin-2-one
PubChem CID147672843
Molecular FormulaC15H19FN2O7
Molecular Weight358.32 g/mol
Exact Mass358.12
IUPAC Name7-fluoro-3-[(3R,5R,6R)-2,3,4,5,6,7-hexahydroxyheptyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2cc(F)ccc2nc1CC(O)[C@@H](O)C(O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C15H19FN2O7/c16-6-1-2-7-8(3-6)18-15(25)9(17-7)4-10(20)12(22)14(24)13(23)11(21)5-19/h1-3,10-14,19-24H,4-5H2,(H,18,25)/t10?,11-,12-,13-,14?/m1/s1
InChIKeyGNOSFNGSDGESKM-DEULPLRUSA-N
XLogP-2.60
TPSA167.13 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.32
LogP ≤ 5-2.60
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Analyze 7-fluoro-3-[(3R,5R,6R)-2,3,4,5,6,7-hexahydroxyheptyl]-1H-quinoxalin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[(3R,5R,6R)-2,3,4,5,6,7-hexahydroxyheptyl]-1H-quinoxalin-2-one?
The IUPAC name of 7-fluoro-3-[(3R,5R,6R)-2,3,4,5,6,7-hexahydroxyheptyl]-1H-quinoxalin-2-one (CID 147672843) is 7-fluoro-3-[(3R,5R,6R)-2,3,4,5,6,7-hexahydroxyheptyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 7-fluoro-3-[(3R,5R,6R)-2,3,4,5,6,7-hexahydroxyheptyl]-1H-quinoxalin-2-one?
The canonical SMILES for 7-fluoro-3-[(3R,5R,6R)-2,3,4,5,6,7-hexahydroxyheptyl]-1H-quinoxalin-2-one is O=c1[nH]c2cc(F)ccc2nc1CC(O)[C@@H](O)C(O)[C@H](O)[C@H](O)CO.
What is the InChIKey of 7-fluoro-3-[(3R,5R,6R)-2,3,4,5,6,7-hexahydroxyheptyl]-1H-quinoxalin-2-one?
The InChIKey is GNOSFNGSDGESKM-DEULPLRUSA-N. The full InChI is InChI=1S/C15H19FN2O7/c16-6-1-2-7-8(3-6)18-15(25)9(17-7)4-10(20)12(22)14(24)13(23)11(21)5-19/h1-3,10-14,19-24H,4-5H2,(H,18,25)/t10?,11-,12-,13-,14?/m1/s1.
What are the key properties of 7-fluoro-3-[(3R,5R,6R)-2,3,4,5,6,7-hexahydroxyheptyl]-1H-quinoxalin-2-one?
7-fluoro-3-[(3R,5R,6R)-2,3,4,5,6,7-hexahydroxyheptyl]-1H-quinoxalin-2-one has a molecular weight of 358.32 g/mol, XLogP of -2.60, 7 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[(3R,5R,6R)-2,3,4,5,6,7-hexahydroxyheptyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 147672843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).