5-fluoro-3-hydroxy-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one

C14H16FN3O3 — CID 102889567

IUPAC5-fluoro-3-hydroxy-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one
SMILESCN1CCCN(c2cc3c(cc2F)C(O)C(=O)N3)CC1=O
InChIInChI=1S/C14H16FN3O3/c1-17-3-2-4-18(7-12(17)19)11-6-10-8(5-9(11)15)13(20)14(21)16-10/h5-6,13,20H,2-4,7H2,1H3,(H,16,21)
InChIKeyZOYRQWGNBMINLT-UHFFFAOYSA-N
MW293.30 g/mol
LogP0.48
Rot. Bonds1

About 5-fluoro-3-hydroxy-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one

5-fluoro-3-hydroxy-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one (PubChem CID 102889567) has the molecular formula C14H16FN3O3 and a molecular weight of 293.30 g/mol. Its IUPAC name is 5-fluoro-3-hydroxy-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-hydroxy-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one
PubChem CID102889567
Molecular FormulaC14H16FN3O3
Molecular Weight293.30 g/mol
Exact Mass293.12
IUPAC Name5-fluoro-3-hydroxy-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one
SMILESCN1CCCN(c2cc3c(cc2F)C(O)C(=O)N3)CC1=O
InChIInChI=1S/C14H16FN3O3/c1-17-3-2-4-18(7-12(17)19)11-6-10-8(5-9(11)15)13(20)14(21)16-10/h5-6,13,20H,2-4,7H2,1H3,(H,16,21)
InChIKeyZOYRQWGNBMINLT-UHFFFAOYSA-N
XLogP0.48
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-fluoro-3-hydroxy-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one with MolForge

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Related Compounds

5-chloro-3-hydroxy-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one
CID 102889556
5-fluoro-3-hydroxy-6-(3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one
CID 80758681
5-fluoro-3-hydroxy-6-morpholin-4-yl-1,3-dihydroindol-2-one
CID 80759185
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-3,6-dihydro-2H-pyridin-1-yl)-1,3-dihydroindol-2-one
CID 114411382
6-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
CID 80747352
5-fluoro-3-hydroxy-6-(4-propylpiperidin-1-yl)-1,3-dihydroindol-2-one
CID 80746743
6-(4-ethyl-3-methylpiperazin-1-yl)-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
CID 80747351
5,6-difluoro-3-hydroxy-1,3-dihydroindol-2-one
CID 61361646
6-(azepan-1-yl)-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79336064
5-bromo-3-hydroxy-6-(3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one
CID 79336678
5-chloro-6-(3,3-dimethylpiperidin-1-yl)-3-hydroxy-1,3-dihydroindol-2-one
CID 79335870

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-hydroxy-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-3-hydroxy-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one (CID 102889567) is 5-fluoro-3-hydroxy-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-3-hydroxy-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-3-hydroxy-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one is CN1CCCN(c2cc3c(cc2F)C(O)C(=O)N3)CC1=O.
What is the InChIKey of 5-fluoro-3-hydroxy-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one?
The InChIKey is ZOYRQWGNBMINLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O3/c1-17-3-2-4-18(7-12(17)19)11-6-10-8(5-9(11)15)13(20)14(21)16-10/h5-6,13,20H,2-4,7H2,1H3,(H,16,21).
What are the key properties of 5-fluoro-3-hydroxy-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one?
5-fluoro-3-hydroxy-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one has a molecular weight of 293.30 g/mol, XLogP of 0.48, 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-(4-methyl-3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 102889567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).