5-bromo-6-(2,2-dimethylmorpholin-4-yl)-3-hydroxy-1,3-dihydroindol-2-one

C14H17BrN2O3 — CID 79336741

IUPAC5-bromo-6-(2,2-dimethylmorpholin-4-yl)-3-hydroxy-1,3-dihydroindol-2-one
SMILESCC1(C)CN(c2cc3c(cc2Br)C(O)C(=O)N3)CCO1
InChIInChI=1S/C14H17BrN2O3/c1-14(2)7-17(3-4-20-14)11-6-10-8(5-9(11)15)12(18)13(19)16-10/h5-6,12,18H,3-4,7H2,1-2H3,(H,16,19)
InChIKeyOIFQMNUUBSBTBY-UHFFFAOYSA-N
MW341.21 g/mol
LogP2.05
Rot. Bonds1

About 5-bromo-6-(2,2-dimethylmorpholin-4-yl)-3-hydroxy-1,3-dihydroindol-2-one

5-bromo-6-(2,2-dimethylmorpholin-4-yl)-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 79336741) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is 5-bromo-6-(2,2-dimethylmorpholin-4-yl)-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-6-(2,2-dimethylmorpholin-4-yl)-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID79336741
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name5-bromo-6-(2,2-dimethylmorpholin-4-yl)-3-hydroxy-1,3-dihydroindol-2-one
SMILESCC1(C)CN(c2cc3c(cc2Br)C(O)C(=O)N3)CCO1
InChIInChI=1S/C14H17BrN2O3/c1-14(2)7-17(3-4-20-14)11-6-10-8(5-9(11)15)12(18)13(19)16-10/h5-6,12,18H,3-4,7H2,1-2H3,(H,16,19)
InChIKeyOIFQMNUUBSBTBY-UHFFFAOYSA-N
XLogP2.05
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 52.05
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-chloro-6-(2,2-dimethylmorpholin-4-yl)-3-hydroxy-1,3-dihydroindol-2-one
CID 79336349
5-bromo-3-hydroxy-6-(3-methoxy-3-methylpiperidin-1-yl)-1,3-dihydroindol-2-one
CID 107393568
5-bromo-3-hydroxy-6-(4-propylpiperazin-1-yl)-1,3-dihydroindol-2-one
CID 79343686
5-bromo-3-hydroxy-6-(3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one
CID 79336678
3-amino-5-chloro-6-(2,2-dimethylmorpholin-4-yl)-1,3-dihydroindol-2-one
CID 79348753
5-bromo-3-hydroxy-6-[4-(methoxymethyl)piperidin-1-yl]-1,3-dihydroindol-2-one
CID 79344151
5-bromo-6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-hydroxy-1,3-dihydroindol-2-one
CID 79343678
5-fluoro-3-hydroxy-6-morpholin-4-yl-1,3-dihydroindol-2-one
CID 80759185
4-bromo-5-(2,2-dimethylmorpholin-4-yl)-2-methylpyridazin-3-one
CID 133303387
5-bromo-6-morpholin-4-yl-3-(propylamino)-1,3-dihydroindol-2-one
CID 79345041
3-bromo-4-(2,2-dimethylmorpholin-4-yl)benzenecarbothioamide
CID 82804146
6-(azepan-1-yl)-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79336064

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(2,2-dimethylmorpholin-4-yl)-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-6-(2,2-dimethylmorpholin-4-yl)-3-hydroxy-1,3-dihydroindol-2-one (CID 79336741) is 5-bromo-6-(2,2-dimethylmorpholin-4-yl)-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-6-(2,2-dimethylmorpholin-4-yl)-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-6-(2,2-dimethylmorpholin-4-yl)-3-hydroxy-1,3-dihydroindol-2-one is CC1(C)CN(c2cc3c(cc2Br)C(O)C(=O)N3)CCO1.
What is the InChIKey of 5-bromo-6-(2,2-dimethylmorpholin-4-yl)-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is OIFQMNUUBSBTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c1-14(2)7-17(3-4-20-14)11-6-10-8(5-9(11)15)12(18)13(19)16-10/h5-6,12,18H,3-4,7H2,1-2H3,(H,16,19).
What are the key properties of 5-bromo-6-(2,2-dimethylmorpholin-4-yl)-3-hydroxy-1,3-dihydroindol-2-one?
5-bromo-6-(2,2-dimethylmorpholin-4-yl)-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 341.21 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(2,2-dimethylmorpholin-4-yl)-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 79336741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).