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

C14H17FN2O3 — CID 80758225

IUPAC6-[cyclopropyl(2-methoxyethyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
SMILESCOCCN(c1cc2c(cc1F)C(O)C(=O)N2)C1CC1
InChIInChI=1S/C14H17FN2O3/c1-20-5-4-17(8-2-3-8)12-7-11-9(6-10(12)15)13(18)14(19)16-11/h6-8,13,18H,2-5H2,1H3,(H,16,19)
InChIKeyLEJMYMHGCMIDIF-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.43
Rot. Bonds5

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

6-[cyclopropyl(2-methoxyethyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 80758225) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 6-[cyclopropyl(2-methoxyethyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[cyclopropyl(2-methoxyethyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID80758225
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name6-[cyclopropyl(2-methoxyethyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
SMILESCOCCN(c1cc2c(cc1F)C(O)C(=O)N2)C1CC1
InChIInChI=1S/C14H17FN2O3/c1-20-5-4-17(8-2-3-8)12-7-11-9(6-10(12)15)13(18)14(19)16-11/h6-8,13,18H,2-5H2,1H3,(H,16,19)
InChIKeyLEJMYMHGCMIDIF-UHFFFAOYSA-N
XLogP1.43
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.43
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

6-[cyclopentyl(ethyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
CID 80759188
5-fluoro-3-hydroxy-6-[3-methoxypropyl(methyl)amino]-1,3-dihydroindol-2-one
CID 80758147
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
6-[bis(2-methoxyethyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79345018
5-fluoro-3-hydroxy-6-[methyl(oxan-4-yl)amino]-1,3-dihydroindol-2-one
CID 80758859
5-bromo-6-[cyclopropyl(ethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
CID 79336739
6-[2-(dimethylamino)ethyl-propylamino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
CID 80746464
5,6-difluoro-3-hydroxy-1,3-dihydroindol-2-one
CID 61361646
2-[(5-fluoro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-methylamino]acetamide
CID 80758675
5-bromo-6-[cyclopentyl(2-hydroxyethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
CID 79343920
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 6-[cyclopropyl(2-methoxyethyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 6-[cyclopropyl(2-methoxyethyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one (CID 80758225) is 6-[cyclopropyl(2-methoxyethyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[cyclopropyl(2-methoxyethyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[cyclopropyl(2-methoxyethyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one is COCCN(c1cc2c(cc1F)C(O)C(=O)N2)C1CC1.
What is the InChIKey of 6-[cyclopropyl(2-methoxyethyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is LEJMYMHGCMIDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-20-5-4-17(8-2-3-8)12-7-11-9(6-10(12)15)13(18)14(19)16-11/h6-8,13,18H,2-5H2,1H3,(H,16,19).
What are the key properties of 6-[cyclopropyl(2-methoxyethyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
6-[cyclopropyl(2-methoxyethyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 280.30 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropyl(2-methoxyethyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 80758225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).