5-amino-6-(2-methoxy-4-methylphenoxy)-1,3-dihydroindol-2-one

C16H16N2O3 — CID 43451902

IUPAC5-amino-6-(2-methoxy-4-methylphenoxy)-1,3-dihydroindol-2-one
SMILESCOc1cc(C)ccc1Oc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C16H16N2O3/c1-9-3-4-13(15(5-9)20-2)21-14-8-12-10(6-11(14)17)7-16(19)18-12/h3-6,8H,7,17H2,1-2H3,(H,18,19)
InChIKeyOSVOQQVUFOCNOK-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.87
Rot. Bonds3

About 5-amino-6-(2-methoxy-4-methylphenoxy)-1,3-dihydroindol-2-one

5-amino-6-(2-methoxy-4-methylphenoxy)-1,3-dihydroindol-2-one (PubChem CID 43451902) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-amino-6-(2-methoxy-4-methylphenoxy)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-(2-methoxy-4-methylphenoxy)-1,3-dihydroindol-2-one
PubChem CID43451902
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name5-amino-6-(2-methoxy-4-methylphenoxy)-1,3-dihydroindol-2-one
SMILESCOc1cc(C)ccc1Oc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C16H16N2O3/c1-9-3-4-13(15(5-9)20-2)21-14-8-12-10(6-11(14)17)7-16(19)18-12/h3-6,8H,7,17H2,1-2H3,(H,18,19)
InChIKeyOSVOQQVUFOCNOK-UHFFFAOYSA-N
XLogP2.87
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-6-(2-bromo-4-methoxyphenoxy)-1,3-dihydroindol-2-one
CID 104706571
5-amino-6-(4-iodophenoxy)-1,3-dihydroindol-2-one
CID 43451950
6-amino-7-(4-methylphenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43455675
5-amino-6-octoxy-1,3-dihydroindol-2-one
CID 43451940
7-amino-8-methoxy-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 71755958
5-amino-6-(2-methylpropoxy)-1,3-dihydroindol-2-one
CID 43451909
5-amino-6-(3-fluoro-4-methoxyanilino)-1,3-dihydroindol-2-one
CID 43451855
ethane;5-methyl-1,3-dihydroindol-2-one
CID 91234498
5-amino-6-(3,5-dimethylcyclohexyl)oxy-1,3-dihydroindol-2-one
CID 64730371
methyl 3-amino-4-(2-methoxy-4-methylphenoxy)benzoate
CID 61307558
6-amino-7-(2-fluoro-3-methylphenoxy)-3,4-dihydro-1H-quinolin-2-one
CID 107655515
5-amino-6-(2-propoxyethoxy)-1,3-dihydroindol-2-one
CID 63686702

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2-methoxy-4-methylphenoxy)-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-(2-methoxy-4-methylphenoxy)-1,3-dihydroindol-2-one (CID 43451902) is 5-amino-6-(2-methoxy-4-methylphenoxy)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-(2-methoxy-4-methylphenoxy)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-(2-methoxy-4-methylphenoxy)-1,3-dihydroindol-2-one is COc1cc(C)ccc1Oc1cc2c(cc1N)CC(=O)N2.
What is the InChIKey of 5-amino-6-(2-methoxy-4-methylphenoxy)-1,3-dihydroindol-2-one?
The InChIKey is OSVOQQVUFOCNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-9-3-4-13(15(5-9)20-2)21-14-8-12-10(6-11(14)17)7-16(19)18-12/h3-6,8H,7,17H2,1-2H3,(H,18,19).
What are the key properties of 5-amino-6-(2-methoxy-4-methylphenoxy)-1,3-dihydroindol-2-one?
5-amino-6-(2-methoxy-4-methylphenoxy)-1,3-dihydroindol-2-one has a molecular weight of 284.32 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2-methoxy-4-methylphenoxy)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43451902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).