7-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one

C19H21NO4 — CID 43912363

IUPAC7-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one
SMILESCOc1cc(OC)c(OC)cc1CC1C(=O)Nc2c(C)cccc21
InChIInChI=1S/C19H21NO4/c1-11-6-5-7-13-14(19(21)20-18(11)13)8-12-9-16(23-3)17(24-4)10-15(12)22-2/h5-7,9-10,14H,8H2,1-4H3,(H,20,21)
InChIKeyJSDVGKNNRBTWPU-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.30
Rot. Bonds5

About 7-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one

7-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one (PubChem CID 43912363) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 7-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one
PubChem CID43912363
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name7-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one
SMILESCOc1cc(OC)c(OC)cc1CC1C(=O)Nc2c(C)cccc21
InChIInChI=1S/C19H21NO4/c1-11-6-5-7-13-14(19(21)20-18(11)13)8-12-9-16(23-3)17(24-4)10-15(12)22-2/h5-7,9-10,14H,8H2,1-4H3,(H,20,21)
InChIKeyJSDVGKNNRBTWPU-UHFFFAOYSA-N
XLogP3.30
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 7-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one (CID 43912363) is 7-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 7-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one is COc1cc(OC)c(OC)cc1CC1C(=O)Nc2c(C)cccc21.
What is the InChIKey of 7-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is JSDVGKNNRBTWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-11-6-5-7-13-14(19(21)20-18(11)13)8-12-9-16(23-3)17(24-4)10-15(12)22-2/h5-7,9-10,14H,8H2,1-4H3,(H,20,21).
What are the key properties of 7-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one?
7-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 327.38 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43912363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).