3-amino-6-(4-ethyl-3-methylpiperazin-1-yl)-1-methyl-3H-indol-2-one

C16H24N4O — CID 81300740

IUPAC3-amino-6-(4-ethyl-3-methylpiperazin-1-yl)-1-methyl-3H-indol-2-one
SMILESCCN1CCN(c2ccc3c(c2)N(C)C(=O)C3N)CC1C
InChIInChI=1S/C16H24N4O/c1-4-19-7-8-20(10-11(19)2)12-5-6-13-14(9-12)18(3)16(21)15(13)17/h5-6,9,11,15H,4,7-8,10,17H2,1-3H3
InChIKeyJQJKJCNXBSTMCR-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.19
Rot. Bonds2

About 3-amino-6-(4-ethyl-3-methylpiperazin-1-yl)-1-methyl-3H-indol-2-one

3-amino-6-(4-ethyl-3-methylpiperazin-1-yl)-1-methyl-3H-indol-2-one (PubChem CID 81300740) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 3-amino-6-(4-ethyl-3-methylpiperazin-1-yl)-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name3-amino-6-(4-ethyl-3-methylpiperazin-1-yl)-1-methyl-3H-indol-2-one
PubChem CID81300740
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name3-amino-6-(4-ethyl-3-methylpiperazin-1-yl)-1-methyl-3H-indol-2-one
SMILESCCN1CCN(c2ccc3c(c2)N(C)C(=O)C3N)CC1C
InChIInChI=1S/C16H24N4O/c1-4-19-7-8-20(10-11(19)2)12-5-6-13-14(9-12)18(3)16(21)15(13)17/h5-6,9,11,15H,4,7-8,10,17H2,1-3H3
InChIKeyJQJKJCNXBSTMCR-UHFFFAOYSA-N
XLogP1.19
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-ethyl-3-methylpiperazin-1-yl)-1-methyl-3H-indol-2-one?
The IUPAC name of 3-amino-6-(4-ethyl-3-methylpiperazin-1-yl)-1-methyl-3H-indol-2-one (CID 81300740) is 3-amino-6-(4-ethyl-3-methylpiperazin-1-yl)-1-methyl-3H-indol-2-one.
What is the SMILES notation for 3-amino-6-(4-ethyl-3-methylpiperazin-1-yl)-1-methyl-3H-indol-2-one?
The canonical SMILES for 3-amino-6-(4-ethyl-3-methylpiperazin-1-yl)-1-methyl-3H-indol-2-one is CCN1CCN(c2ccc3c(c2)N(C)C(=O)C3N)CC1C.
What is the InChIKey of 3-amino-6-(4-ethyl-3-methylpiperazin-1-yl)-1-methyl-3H-indol-2-one?
The InChIKey is JQJKJCNXBSTMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-19-7-8-20(10-11(19)2)12-5-6-13-14(9-12)18(3)16(21)15(13)17/h5-6,9,11,15H,4,7-8,10,17H2,1-3H3.
What are the key properties of 3-amino-6-(4-ethyl-3-methylpiperazin-1-yl)-1-methyl-3H-indol-2-one?
3-amino-6-(4-ethyl-3-methylpiperazin-1-yl)-1-methyl-3H-indol-2-one has a molecular weight of 288.40 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-ethyl-3-methylpiperazin-1-yl)-1-methyl-3H-indol-2-one is sourced from PubChem (CID 81300740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).