5-fluoro-6-(3-methylpiperazin-1-yl)-1H-indole-2,3-dione

C13H14FN3O2 — CID 19390694

IUPAC5-fluoro-6-(3-methylpiperazin-1-yl)-1H-indole-2,3-dione
SMILESCC1CN(c2cc3c(cc2F)C(=O)C(=O)N3)CCN1
InChIInChI=1S/C13H14FN3O2/c1-7-6-17(3-2-15-7)11-5-10-8(4-9(11)14)12(18)13(19)16-10/h4-5,7,15H,2-3,6H2,1H3,(H,16,18,19)
InChIKeyRXXUOONWUMKSKA-UHFFFAOYSA-N
MW263.27 g/mol
LogP0.76
Rot. Bonds1

About 5-fluoro-6-(3-methylpiperazin-1-yl)-1H-indole-2,3-dione

5-fluoro-6-(3-methylpiperazin-1-yl)-1H-indole-2,3-dione (PubChem CID 19390694) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 5-fluoro-6-(3-methylpiperazin-1-yl)-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-fluoro-6-(3-methylpiperazin-1-yl)-1H-indole-2,3-dione
PubChem CID19390694
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name5-fluoro-6-(3-methylpiperazin-1-yl)-1H-indole-2,3-dione
SMILESCC1CN(c2cc3c(cc2F)C(=O)C(=O)N3)CCN1
InChIInChI=1S/C13H14FN3O2/c1-7-6-17(3-2-15-7)11-5-10-8(4-9(11)14)12(18)13(19)16-10/h4-5,7,15H,2-3,6H2,1H3,(H,16,18,19)
InChIKeyRXXUOONWUMKSKA-UHFFFAOYSA-N
XLogP0.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(3-methylpiperazin-1-yl)-1H-indole-2,3-dione?
The IUPAC name of 5-fluoro-6-(3-methylpiperazin-1-yl)-1H-indole-2,3-dione (CID 19390694) is 5-fluoro-6-(3-methylpiperazin-1-yl)-1H-indole-2,3-dione.
What is the SMILES notation for 5-fluoro-6-(3-methylpiperazin-1-yl)-1H-indole-2,3-dione?
The canonical SMILES for 5-fluoro-6-(3-methylpiperazin-1-yl)-1H-indole-2,3-dione is CC1CN(c2cc3c(cc2F)C(=O)C(=O)N3)CCN1.
What is the InChIKey of 5-fluoro-6-(3-methylpiperazin-1-yl)-1H-indole-2,3-dione?
The InChIKey is RXXUOONWUMKSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-7-6-17(3-2-15-7)11-5-10-8(4-9(11)14)12(18)13(19)16-10/h4-5,7,15H,2-3,6H2,1H3,(H,16,18,19).
What are the key properties of 5-fluoro-6-(3-methylpiperazin-1-yl)-1H-indole-2,3-dione?
5-fluoro-6-(3-methylpiperazin-1-yl)-1H-indole-2,3-dione has a molecular weight of 263.27 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(3-methylpiperazin-1-yl)-1H-indole-2,3-dione is sourced from PubChem (CID 19390694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).