7-bromo-1,3,3-tris(methylamino)indol-2-one

C11H15BrN4O — CID 174545408

IUPAC7-bromo-1,3,3-tris(methylamino)indol-2-one
SMILESCNN1C(=O)C(NC)(NC)c2cccc(Br)c21
InChIInChI=1S/C11H15BrN4O/c1-13-11(14-2)7-5-4-6-8(12)9(7)16(15-3)10(11)17/h4-6,13-15H,1-3H3
InChIKeyUUYPHBWUYHQYKY-UHFFFAOYSA-N
MW299.17 g/mol
LogP0.52
Rot. Bonds3

About 7-bromo-1,3,3-tris(methylamino)indol-2-one

7-bromo-1,3,3-tris(methylamino)indol-2-one (PubChem CID 174545408) has the molecular formula C11H15BrN4O and a molecular weight of 299.17 g/mol. Its IUPAC name is 7-bromo-1,3,3-tris(methylamino)indol-2-one.

Molecular Properties

Compound Name7-bromo-1,3,3-tris(methylamino)indol-2-one
PubChem CID174545408
Molecular FormulaC11H15BrN4O
Molecular Weight299.17 g/mol
Exact Mass298.04
IUPAC Name7-bromo-1,3,3-tris(methylamino)indol-2-one
SMILESCNN1C(=O)C(NC)(NC)c2cccc(Br)c21
InChIInChI=1S/C11H15BrN4O/c1-13-11(14-2)7-5-4-6-8(12)9(7)16(15-3)10(11)17/h4-6,13-15H,1-3H3
InChIKeyUUYPHBWUYHQYKY-UHFFFAOYSA-N
XLogP0.52
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 7-bromo-1,3,3-tris(methylamino)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

Related Compounds

N-(5-bromo-2-oxo-3H-indol-1-yl)propanamide
CID 69640716
5-Methyl-1,3,3-tris(methylamino)indol-2-one
CID 174474058
1,3,3-Tris(methylamino)indol-2-one
CID 174746881
7-Bromo-1,3-dimethyl-3-(prop-2-enylamino)indol-2-one
CID 177778545
2H-Indol-2-one, 7-bromo-3-(diethylamino)-1,3-dihydro-3-phenyl-
CID 12299338
5-Bromo-3-(methylamino)-1,3-dihydroindol-2-one
CID 16792341
5-Bromo-3-(propylamino)-1,3-dihydroindol-2-one
CID 24704456
5-Bromo-3-(ethylamino)-1,3-dihydroindol-2-one
CID 24709706
5-Bromo-3-(prop-2-enylamino)-1,3-dihydroindol-2-one
CID 43189550
5-Bromo-3-(propan-2-ylamino)-1,3-dihydroindol-2-one
CID 43190052
5-Bromo-3-(butan-2-ylamino)-1,3-dihydroindol-2-one
CID 43190207
5-Bromo-3-(2-methylpropylamino)-1,3-dihydroindol-2-one
CID 43190323

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1,3,3-tris(methylamino)indol-2-one?
The IUPAC name of 7-bromo-1,3,3-tris(methylamino)indol-2-one (CID 174545408) is 7-bromo-1,3,3-tris(methylamino)indol-2-one.
What is the SMILES notation for 7-bromo-1,3,3-tris(methylamino)indol-2-one?
The canonical SMILES for 7-bromo-1,3,3-tris(methylamino)indol-2-one is CNN1C(=O)C(NC)(NC)c2cccc(Br)c21.
What is the InChIKey of 7-bromo-1,3,3-tris(methylamino)indol-2-one?
The InChIKey is UUYPHBWUYHQYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O/c1-13-11(14-2)7-5-4-6-8(12)9(7)16(15-3)10(11)17/h4-6,13-15H,1-3H3.
What are the key properties of 7-bromo-1,3,3-tris(methylamino)indol-2-one?
7-bromo-1,3,3-tris(methylamino)indol-2-one has a molecular weight of 299.17 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1,3,3-tris(methylamino)indol-2-one is sourced from PubChem (CID 174545408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).