5-fluoro-3-hydroxy-6-[3-methoxypropyl(methyl)amino]-1,3-dihydroindol-2-one

C13H17FN2O3 — CID 80758147

IUPAC5-fluoro-3-hydroxy-6-[3-methoxypropyl(methyl)amino]-1,3-dihydroindol-2-one
SMILESCOCCCN(C)c1cc2c(cc1F)C(O)C(=O)N2
InChIInChI=1S/C13H17FN2O3/c1-16(4-3-5-19-2)11-7-10-8(6-9(11)14)12(17)13(18)15-10/h6-7,12,17H,3-5H2,1-2H3,(H,15,18)
InChIKeyQLQGJTIBNXZTTG-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.28
Rot. Bonds5

About 5-fluoro-3-hydroxy-6-[3-methoxypropyl(methyl)amino]-1,3-dihydroindol-2-one

5-fluoro-3-hydroxy-6-[3-methoxypropyl(methyl)amino]-1,3-dihydroindol-2-one (PubChem CID 80758147) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 5-fluoro-3-hydroxy-6-[3-methoxypropyl(methyl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-hydroxy-6-[3-methoxypropyl(methyl)amino]-1,3-dihydroindol-2-one
PubChem CID80758147
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name5-fluoro-3-hydroxy-6-[3-methoxypropyl(methyl)amino]-1,3-dihydroindol-2-one
SMILESCOCCCN(C)c1cc2c(cc1F)C(O)C(=O)N2
InChIInChI=1S/C13H17FN2O3/c1-16(4-3-5-19-2)11-7-10-8(6-9(11)14)12(17)13(18)15-10/h6-7,12,17H,3-5H2,1-2H3,(H,15,18)
InChIKeyQLQGJTIBNXZTTG-UHFFFAOYSA-N
XLogP1.28
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[cyclopropyl(2-methoxyethyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
CID 80758225
3-hydroxy-6-[3-methoxypropyl(methyl)amino]-1,3-dihydroindol-2-one
CID 63007655
2-[(5-fluoro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-methylamino]acetamide
CID 80758675
3-[(5-fluoro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-methylamino]-2-methylpropanenitrile
CID 80758861
6-[2-(dimethylamino)ethyl-propylamino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
CID 80746464
6-[butyl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79336345
5-fluoro-3-hydroxy-6-[methyl(thiophen-2-ylmethyl)amino]-1,3-dihydroindol-2-one
CID 80759014
5-fluoro-3-hydroxy-6-[methyl(thiolan-3-yl)amino]-1,3-dihydroindol-2-one
CID 80758489
6-[cyclohexyl(methyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
CID 80758932
5-chloro-3-hydroxy-6-[2-hydroxyethyl(methyl)amino]-1,3-dihydroindol-2-one
CID 79336624
5,6-difluoro-3-hydroxy-1,3-dihydroindol-2-one
CID 61361646
5-fluoro-3-hydroxy-6-[2-hydroxyethyl(pentan-3-yl)amino]-1,3-dihydroindol-2-one
CID 80747140

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-hydroxy-6-[3-methoxypropyl(methyl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-3-hydroxy-6-[3-methoxypropyl(methyl)amino]-1,3-dihydroindol-2-one (CID 80758147) is 5-fluoro-3-hydroxy-6-[3-methoxypropyl(methyl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-3-hydroxy-6-[3-methoxypropyl(methyl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-3-hydroxy-6-[3-methoxypropyl(methyl)amino]-1,3-dihydroindol-2-one is COCCCN(C)c1cc2c(cc1F)C(O)C(=O)N2.
What is the InChIKey of 5-fluoro-3-hydroxy-6-[3-methoxypropyl(methyl)amino]-1,3-dihydroindol-2-one?
The InChIKey is QLQGJTIBNXZTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-16(4-3-5-19-2)11-7-10-8(6-9(11)14)12(17)13(18)15-10/h6-7,12,17H,3-5H2,1-2H3,(H,15,18).
What are the key properties of 5-fluoro-3-hydroxy-6-[3-methoxypropyl(methyl)amino]-1,3-dihydroindol-2-one?
5-fluoro-3-hydroxy-6-[3-methoxypropyl(methyl)amino]-1,3-dihydroindol-2-one has a molecular weight of 268.29 g/mol, XLogP of 1.28, 5 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-[3-methoxypropyl(methyl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 80758147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).