3-tert-butyl-1-methyl-4-pyridin-2-yloxy-3H-indol-2-one

C18H20N2O2 — CID 141131000

IUPAC3-tert-butyl-1-methyl-4-pyridin-2-yloxy-3H-indol-2-one
SMILESCN1C(=O)C(C(C)(C)C)c2c(Oc3ccccn3)cccc21
InChIInChI=1S/C18H20N2O2/c1-18(2,3)16-15-12(20(4)17(16)21)8-7-9-13(15)22-14-10-5-6-11-19-14/h5-11,16H,1-4H3
InChIKeyMKVYCNBIMDBVDH-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.98
Rot. Bonds2

About 3-tert-butyl-1-methyl-4-pyridin-2-yloxy-3H-indol-2-one

3-tert-butyl-1-methyl-4-pyridin-2-yloxy-3H-indol-2-one (PubChem CID 141131000) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-tert-butyl-1-methyl-4-pyridin-2-yloxy-3H-indol-2-one.

Molecular Properties

Compound Name3-tert-butyl-1-methyl-4-pyridin-2-yloxy-3H-indol-2-one
PubChem CID141131000
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name3-tert-butyl-1-methyl-4-pyridin-2-yloxy-3H-indol-2-one
SMILESCN1C(=O)C(C(C)(C)C)c2c(Oc3ccccn3)cccc21
InChIInChI=1S/C18H20N2O2/c1-18(2,3)16-15-12(20(4)17(16)21)8-7-9-13(15)22-14-10-5-6-11-19-14/h5-11,16H,1-4H3
InChIKeyMKVYCNBIMDBVDH-UHFFFAOYSA-N
XLogP3.98
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methyl-4-pyridin-2-yloxy-3H-indol-2-one?
The IUPAC name of 3-tert-butyl-1-methyl-4-pyridin-2-yloxy-3H-indol-2-one (CID 141131000) is 3-tert-butyl-1-methyl-4-pyridin-2-yloxy-3H-indol-2-one.
What is the SMILES notation for 3-tert-butyl-1-methyl-4-pyridin-2-yloxy-3H-indol-2-one?
The canonical SMILES for 3-tert-butyl-1-methyl-4-pyridin-2-yloxy-3H-indol-2-one is CN1C(=O)C(C(C)(C)C)c2c(Oc3ccccn3)cccc21.
What is the InChIKey of 3-tert-butyl-1-methyl-4-pyridin-2-yloxy-3H-indol-2-one?
The InChIKey is MKVYCNBIMDBVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-18(2,3)16-15-12(20(4)17(16)21)8-7-9-13(15)22-14-10-5-6-11-19-14/h5-11,16H,1-4H3.
What are the key properties of 3-tert-butyl-1-methyl-4-pyridin-2-yloxy-3H-indol-2-one?
3-tert-butyl-1-methyl-4-pyridin-2-yloxy-3H-indol-2-one has a molecular weight of 296.37 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methyl-4-pyridin-2-yloxy-3H-indol-2-one is sourced from PubChem (CID 141131000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).