5-fluoro-3-hydroxy-6-morpholin-4-yl-1,3-dihydroindol-2-one

C12H13FN2O3 — CID 80759185

IUPAC5-fluoro-3-hydroxy-6-morpholin-4-yl-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(N3CCOCC3)c(F)cc2C1O
InChIInChI=1S/C12H13FN2O3/c13-8-5-7-9(14-12(17)11(7)16)6-10(8)15-1-3-18-4-2-15/h5-6,11,16H,1-4H2,(H,14,17)
InChIKeyBBZCYCUTIRQYLO-UHFFFAOYSA-N
MW252.24 g/mol
LogP0.65
Rot. Bonds1

About 5-fluoro-3-hydroxy-6-morpholin-4-yl-1,3-dihydroindol-2-one

5-fluoro-3-hydroxy-6-morpholin-4-yl-1,3-dihydroindol-2-one (PubChem CID 80759185) has the molecular formula C12H13FN2O3 and a molecular weight of 252.24 g/mol. Its IUPAC name is 5-fluoro-3-hydroxy-6-morpholin-4-yl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-hydroxy-6-morpholin-4-yl-1,3-dihydroindol-2-one
PubChem CID80759185
Molecular FormulaC12H13FN2O3
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name5-fluoro-3-hydroxy-6-morpholin-4-yl-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(N3CCOCC3)c(F)cc2C1O
InChIInChI=1S/C12H13FN2O3/c13-8-5-7-9(14-12(17)11(7)16)6-10(8)15-1-3-18-4-2-15/h5-6,11,16H,1-4H2,(H,14,17)
InChIKeyBBZCYCUTIRQYLO-UHFFFAOYSA-N
XLogP0.65
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-3-hydroxy-6-(3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one
CID 80758681
5-fluoro-3-hydroxy-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-dihydroindol-2-one
CID 106836471
5-fluoro-3-hydroxy-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one
CID 102889567
5-fluoro-3-hydroxy-6-(4-propylpiperidin-1-yl)-1,3-dihydroindol-2-one
CID 80746743
5-fluoro-3-hydroxy-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-dihydroindol-2-one
CID 114411382
5,6-difluoro-3-hydroxy-1,3-dihydroindol-2-one
CID 61361646
6-(4-ethyl-3-methylpiperazin-1-yl)-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
CID 80747351
6-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
CID 80747352
3-hydroxy-6-(1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one
CID 62974329
5-fluoro-3-hydroxy-6-[methyl(oxan-4-yl)amino]-1,3-dihydroindol-2-one
CID 80758859
5-chloro-3-hydroxy-6-thiomorpholin-4-yl-1,3-dihydroindol-2-one
CID 79336135
5-chloro-6-(2,2-dimethylmorpholin-4-yl)-3-hydroxy-1,3-dihydroindol-2-one
CID 79336349

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-hydroxy-6-morpholin-4-yl-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-3-hydroxy-6-morpholin-4-yl-1,3-dihydroindol-2-one (CID 80759185) is 5-fluoro-3-hydroxy-6-morpholin-4-yl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-3-hydroxy-6-morpholin-4-yl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-3-hydroxy-6-morpholin-4-yl-1,3-dihydroindol-2-one is O=C1Nc2cc(N3CCOCC3)c(F)cc2C1O.
What is the InChIKey of 5-fluoro-3-hydroxy-6-morpholin-4-yl-1,3-dihydroindol-2-one?
The InChIKey is BBZCYCUTIRQYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3/c13-8-5-7-9(14-12(17)11(7)16)6-10(8)15-1-3-18-4-2-15/h5-6,11,16H,1-4H2,(H,14,17).
What are the key properties of 5-fluoro-3-hydroxy-6-morpholin-4-yl-1,3-dihydroindol-2-one?
5-fluoro-3-hydroxy-6-morpholin-4-yl-1,3-dihydroindol-2-one has a molecular weight of 252.24 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-hydroxy-6-morpholin-4-yl-1,3-dihydroindol-2-one is sourced from PubChem (CID 80759185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).