3-amino-5-bromo-6-(2-methyl-1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one

C14H18BrN3O2 — CID 79344579

IUPAC3-amino-5-bromo-6-(2-methyl-1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one
SMILESCC1CN(c2cc3c(cc2Br)C(N)C(=O)N3)CCCO1
InChIInChI=1S/C14H18BrN3O2/c1-8-7-18(3-2-4-20-8)12-6-11-9(5-10(12)15)13(16)14(19)17-11/h5-6,8,13H,2-4,7,16H2,1H3,(H,17,19)
InChIKeyJWKPNBPYCIUJPG-UHFFFAOYSA-N
MW340.22 g/mol
LogP2.02
Rot. Bonds1

About 3-amino-5-bromo-6-(2-methyl-1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one

3-amino-5-bromo-6-(2-methyl-1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one (PubChem CID 79344579) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is 3-amino-5-bromo-6-(2-methyl-1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-5-bromo-6-(2-methyl-1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one
PubChem CID79344579
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name3-amino-5-bromo-6-(2-methyl-1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one
SMILESCC1CN(c2cc3c(cc2Br)C(N)C(=O)N3)CCCO1
InChIInChI=1S/C14H18BrN3O2/c1-8-7-18(3-2-4-20-8)12-6-11-9(5-10(12)15)13(16)14(19)17-11/h5-6,8,13H,2-4,7,16H2,1H3,(H,17,19)
InChIKeyJWKPNBPYCIUJPG-UHFFFAOYSA-N
XLogP2.02
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-5-bromo-6-(2-methyl-1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one with MolForge

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Related Compounds

5-bromo-3-(methylamino)-6-(2-methyl-1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one
CID 79344392
3-amino-5-bromo-6-thiomorpholin-4-yl-1,3-dihydroindol-2-one
CID 79342791
3-amino-6-(2-methylmorpholin-4-yl)-1,3-dihydroindol-2-one
CID 43586561
6-(azocan-1-yl)-5-bromo-3-(methylamino)-1,3-dihydroindol-2-one
CID 79344878
3-amino-5-chloro-6-(3-ethylpiperidin-1-yl)-1,3-dihydroindol-2-one
CID 79349803
5-bromo-3-(ethylamino)-6-piperidin-1-yl-1,3-dihydroindol-2-one
CID 79343706
(1S)-1-[3-bromo-4-(2-methyl-1,4-oxazepan-4-yl)phenyl]ethanol
CID 78941089
1-[3-bromo-4-(2-methyl-1,4-oxazepan-4-yl)phenyl]-N-methylethanamine
CID 62974132
3-amino-5-bromo-6-methylsulfanyl-1,3-dihydroindol-2-one
CID 79342600
5-bromo-6-(2,2-dimethylmorpholin-4-yl)-3-hydroxy-1,3-dihydroindol-2-one
CID 79336741
1-[4-bromo-2-(2-methyl-1,4-oxazepan-4-yl)phenyl]ethanamine
CID 82967944
4-(3-fluoro-2-nitrophenyl)-2-methyl-1,4-oxazepane
CID 55141737

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-6-(2-methyl-1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-5-bromo-6-(2-methyl-1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one (CID 79344579) is 3-amino-5-bromo-6-(2-methyl-1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-5-bromo-6-(2-methyl-1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-5-bromo-6-(2-methyl-1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one is CC1CN(c2cc3c(cc2Br)C(N)C(=O)N3)CCCO1.
What is the InChIKey of 3-amino-5-bromo-6-(2-methyl-1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one?
The InChIKey is JWKPNBPYCIUJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-8-7-18(3-2-4-20-8)12-6-11-9(5-10(12)15)13(16)14(19)17-11/h5-6,8,13H,2-4,7,16H2,1H3,(H,17,19).
What are the key properties of 3-amino-5-bromo-6-(2-methyl-1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one?
3-amino-5-bromo-6-(2-methyl-1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one has a molecular weight of 340.22 g/mol, XLogP of 2.02, 1 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-(2-methyl-1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79344579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).