3-amino-5-bromo-3-(3-methyl-1H-indol-2-yl)-1H-indol-2-one

C17H14BrN3O — CID 89441282

IUPAC3-amino-5-bromo-3-(3-methyl-1H-indol-2-yl)-1H-indol-2-one
SMILESCc1c(C2(N)C(=O)Nc3ccc(Br)cc32)[nH]c2ccccc12
InChIInChI=1S/C17H14BrN3O/c1-9-11-4-2-3-5-13(11)20-15(9)17(19)12-8-10(18)6-7-14(12)21-16(17)22/h2-8,20H,19H2,1H3,(H,21,22)
InChIKeySJTIJZCQFBLVOL-UHFFFAOYSA-N
MW356.22 g/mol
LogP3.39
Rot. Bonds1

About 3-amino-5-bromo-3-(3-methyl-1H-indol-2-yl)-1H-indol-2-one

3-amino-5-bromo-3-(3-methyl-1H-indol-2-yl)-1H-indol-2-one (PubChem CID 89441282) has the molecular formula C17H14BrN3O and a molecular weight of 356.22 g/mol. Its IUPAC name is 3-amino-5-bromo-3-(3-methyl-1H-indol-2-yl)-1H-indol-2-one.

Molecular Properties

Compound Name3-amino-5-bromo-3-(3-methyl-1H-indol-2-yl)-1H-indol-2-one
PubChem CID89441282
Molecular FormulaC17H14BrN3O
Molecular Weight356.22 g/mol
Exact Mass355.03
IUPAC Name3-amino-5-bromo-3-(3-methyl-1H-indol-2-yl)-1H-indol-2-one
SMILESCc1c(C2(N)C(=O)Nc3ccc(Br)cc32)[nH]c2ccccc12
InChIInChI=1S/C17H14BrN3O/c1-9-11-4-2-3-5-13(11)20-15(9)17(19)12-8-10(18)6-7-14(12)21-16(17)22/h2-8,20H,19H2,1H3,(H,21,22)
InChIKeySJTIJZCQFBLVOL-UHFFFAOYSA-N
XLogP3.39
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-amino-5-bromo-3-(3-methyl-1H-indol-2-yl)-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-3-(3-methyl-1H-indol-2-yl)-1H-indol-2-one?
The IUPAC name of 3-amino-5-bromo-3-(3-methyl-1H-indol-2-yl)-1H-indol-2-one (CID 89441282) is 3-amino-5-bromo-3-(3-methyl-1H-indol-2-yl)-1H-indol-2-one.
What is the SMILES notation for 3-amino-5-bromo-3-(3-methyl-1H-indol-2-yl)-1H-indol-2-one?
The canonical SMILES for 3-amino-5-bromo-3-(3-methyl-1H-indol-2-yl)-1H-indol-2-one is Cc1c(C2(N)C(=O)Nc3ccc(Br)cc32)[nH]c2ccccc12.
What is the InChIKey of 3-amino-5-bromo-3-(3-methyl-1H-indol-2-yl)-1H-indol-2-one?
The InChIKey is SJTIJZCQFBLVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O/c1-9-11-4-2-3-5-13(11)20-15(9)17(19)12-8-10(18)6-7-14(12)21-16(17)22/h2-8,20H,19H2,1H3,(H,21,22).
What are the key properties of 3-amino-5-bromo-3-(3-methyl-1H-indol-2-yl)-1H-indol-2-one?
3-amino-5-bromo-3-(3-methyl-1H-indol-2-yl)-1H-indol-2-one has a molecular weight of 356.22 g/mol, XLogP of 3.39, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-3-(3-methyl-1H-indol-2-yl)-1H-indol-2-one is sourced from PubChem (CID 89441282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).