5-bromo-6-[3-(dimethylamino)propyl-methylamino]-1H-indole-2,3-dione

C14H18BrN3O2 — CID 79336318

IUPAC5-bromo-6-[3-(dimethylamino)propyl-methylamino]-1H-indole-2,3-dione
SMILESCN(C)CCCN(C)c1cc2c(cc1Br)C(=O)C(=O)N2
InChIInChI=1S/C14H18BrN3O2/c1-17(2)5-4-6-18(3)12-8-11-9(7-10(12)15)13(19)14(20)16-11/h7-8H,4-6H2,1-3H3,(H,16,19,20)
InChIKeyUDJQSPBYJDXUCH-UHFFFAOYSA-N
MW340.22 g/mol
LogP1.97
Rot. Bonds5

About 5-bromo-6-[3-(dimethylamino)propyl-methylamino]-1H-indole-2,3-dione

5-bromo-6-[3-(dimethylamino)propyl-methylamino]-1H-indole-2,3-dione (PubChem CID 79336318) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is 5-bromo-6-[3-(dimethylamino)propyl-methylamino]-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-bromo-6-[3-(dimethylamino)propyl-methylamino]-1H-indole-2,3-dione
PubChem CID79336318
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name5-bromo-6-[3-(dimethylamino)propyl-methylamino]-1H-indole-2,3-dione
SMILESCN(C)CCCN(C)c1cc2c(cc1Br)C(=O)C(=O)N2
InChIInChI=1S/C14H18BrN3O2/c1-17(2)5-4-6-18(3)12-8-11-9(7-10(12)15)13(19)14(20)16-11/h7-8H,4-6H2,1-3H3,(H,16,19,20)
InChIKeyUDJQSPBYJDXUCH-UHFFFAOYSA-N
XLogP1.97
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 51.97
H-Bond Donors ≤ 51
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-bromo-6-[3-(dimethylamino)propyl-methylamino]-1H-indole-2,3-dione?
The IUPAC name of 5-bromo-6-[3-(dimethylamino)propyl-methylamino]-1H-indole-2,3-dione (CID 79336318) is 5-bromo-6-[3-(dimethylamino)propyl-methylamino]-1H-indole-2,3-dione.
What is the SMILES notation for 5-bromo-6-[3-(dimethylamino)propyl-methylamino]-1H-indole-2,3-dione?
The canonical SMILES for 5-bromo-6-[3-(dimethylamino)propyl-methylamino]-1H-indole-2,3-dione is CN(C)CCCN(C)c1cc2c(cc1Br)C(=O)C(=O)N2.
What is the InChIKey of 5-bromo-6-[3-(dimethylamino)propyl-methylamino]-1H-indole-2,3-dione?
The InChIKey is UDJQSPBYJDXUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-17(2)5-4-6-18(3)12-8-11-9(7-10(12)15)13(19)14(20)16-11/h7-8H,4-6H2,1-3H3,(H,16,19,20).
What are the key properties of 5-bromo-6-[3-(dimethylamino)propyl-methylamino]-1H-indole-2,3-dione?
5-bromo-6-[3-(dimethylamino)propyl-methylamino]-1H-indole-2,3-dione has a molecular weight of 340.22 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[3-(dimethylamino)propyl-methylamino]-1H-indole-2,3-dione is sourced from PubChem (CID 79336318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).