3-amino-5-bromo-6-(1-methoxypropan-2-yloxy)-1,3-dihydroindol-2-one

C12H15BrN2O3 — CID 79343294

IUPAC3-amino-5-bromo-6-(1-methoxypropan-2-yloxy)-1,3-dihydroindol-2-one
SMILESCOCC(C)Oc1cc2c(cc1Br)C(N)C(=O)N2
InChIInChI=1S/C12H15BrN2O3/c1-6(5-17-2)18-10-4-9-7(3-8(10)13)11(14)12(16)15-9/h3-4,6,11H,5,14H2,1-2H3,(H,15,16)
InChIKeyALXZZKPTUGFICN-UHFFFAOYSA-N
MW315.17 g/mol
LogP1.81
Rot. Bonds4

About 3-amino-5-bromo-6-(1-methoxypropan-2-yloxy)-1,3-dihydroindol-2-one

3-amino-5-bromo-6-(1-methoxypropan-2-yloxy)-1,3-dihydroindol-2-one (PubChem CID 79343294) has the molecular formula C12H15BrN2O3 and a molecular weight of 315.17 g/mol. Its IUPAC name is 3-amino-5-bromo-6-(1-methoxypropan-2-yloxy)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-5-bromo-6-(1-methoxypropan-2-yloxy)-1,3-dihydroindol-2-one
PubChem CID79343294
Molecular FormulaC12H15BrN2O3
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC Name3-amino-5-bromo-6-(1-methoxypropan-2-yloxy)-1,3-dihydroindol-2-one
SMILESCOCC(C)Oc1cc2c(cc1Br)C(N)C(=O)N2
InChIInChI=1S/C12H15BrN2O3/c1-6(5-17-2)18-10-4-9-7(3-8(10)13)11(14)12(16)15-9/h3-4,6,11H,5,14H2,1-2H3,(H,15,16)
InChIKeyALXZZKPTUGFICN-UHFFFAOYSA-N
XLogP1.81
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-5-bromo-6-(1-methoxypropan-2-yloxy)-1,3-dihydroindol-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

3-amino-5-bromo-6-propan-2-yloxy-1,3-dihydroindol-2-one
CID 79343739
3-amino-5-bromo-6-butoxy-1,3-dihydroindol-2-one
CID 79344411
3-amino-5-bromo-6-(2-methoxyethylsulfanyl)-1,3-dihydroindol-2-one
CID 79345087
3-amino-5-bromo-6-methylsulfanyl-1,3-dihydroindol-2-one
CID 79342600
3-amino-5-bromo-6-(3,3,3-trifluoropropoxy)-1,3-dihydroindol-2-one
CID 82955288
5-bromo-3-(methylamino)-6-(4-methylpentan-2-yloxy)-1,3-dihydroindol-2-one
CID 79344405
3-amino-5-bromo-6-(2-methylpropylsulfanyl)-1,3-dihydroindol-2-one
CID 79344004
3-amino-5-chloro-6-(2-methylpropoxy)-1,3-dihydroindol-2-one
CID 79348948
3-amino-5-bromo-6-(5-fluoro-2-methylphenoxy)-1,3-dihydroindol-2-one
CID 102982290
3-amino-5-bromo-6-(thiophen-2-ylmethoxy)-1,3-dihydroindol-2-one
CID 79342834
3-amino-5-bromo-6-(1,3,5-trimethylpyrazol-4-yl)oxy-1,3-dihydroindol-2-one
CID 79343756
3-amino-5-chloro-6-(4-methylpentoxy)-1,3-dihydroindol-2-one
CID 79349477

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-6-(1-methoxypropan-2-yloxy)-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-5-bromo-6-(1-methoxypropan-2-yloxy)-1,3-dihydroindol-2-one (CID 79343294) is 3-amino-5-bromo-6-(1-methoxypropan-2-yloxy)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-5-bromo-6-(1-methoxypropan-2-yloxy)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-5-bromo-6-(1-methoxypropan-2-yloxy)-1,3-dihydroindol-2-one is COCC(C)Oc1cc2c(cc1Br)C(N)C(=O)N2.
What is the InChIKey of 3-amino-5-bromo-6-(1-methoxypropan-2-yloxy)-1,3-dihydroindol-2-one?
The InChIKey is ALXZZKPTUGFICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3/c1-6(5-17-2)18-10-4-9-7(3-8(10)13)11(14)12(16)15-9/h3-4,6,11H,5,14H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-5-bromo-6-(1-methoxypropan-2-yloxy)-1,3-dihydroindol-2-one?
3-amino-5-bromo-6-(1-methoxypropan-2-yloxy)-1,3-dihydroindol-2-one has a molecular weight of 315.17 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-6-(1-methoxypropan-2-yloxy)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79343294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).