6-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one

C15H20FN3O2 — CID 80747352

IUPAC6-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
SMILESCCC1CN(c2cc3c(cc2F)C(O)C(=O)N3)CCN1C
InChIInChI=1S/C15H20FN3O2/c1-3-9-8-19(5-4-18(9)2)13-7-12-10(6-11(13)16)14(20)15(21)17-12/h6-7,9,14,20H,3-5,8H2,1-2H3,(H,17,21)
InChIKeyTYSQPJNSSLKXPW-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.34
Rot. Bonds2

About 6-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one

6-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 80747352) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is 6-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID80747352
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name6-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
SMILESCCC1CN(c2cc3c(cc2F)C(O)C(=O)N3)CCN1C
InChIInChI=1S/C15H20FN3O2/c1-3-9-8-19(5-4-18(9)2)13-7-12-10(6-11(13)16)14(20)15(21)17-12/h6-7,9,14,20H,3-5,8H2,1-2H3,(H,17,21)
InChIKeyTYSQPJNSSLKXPW-UHFFFAOYSA-N
XLogP1.34
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.34
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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Frequently Asked Questions

What is the IUPAC name of 6-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 6-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one (CID 80747352) is 6-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 6-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one is CCC1CN(c2cc3c(cc2F)C(O)C(=O)N3)CCN1C.
What is the InChIKey of 6-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is TYSQPJNSSLKXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-3-9-8-19(5-4-18(9)2)13-7-12-10(6-11(13)16)14(20)15(21)17-12/h6-7,9,14,20H,3-5,8H2,1-2H3,(H,17,21).
What are the key properties of 6-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
6-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 293.34 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 80747352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).