5-bromo-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one

C20H22BrNO4 — CID 43912718

IUPAC5-bromo-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one
SMILESCCN1C(=O)C(Cc2c(OC)cc(OC)cc2OC)c2cc(Br)ccc21
InChIInChI=1S/C20H22BrNO4/c1-5-22-17-7-6-12(21)8-14(17)15(20(22)23)11-16-18(25-3)9-13(24-2)10-19(16)26-4/h6-10,15H,5,11H2,1-4H3
InChIKeyAGUKMHVNYAQSLE-UHFFFAOYSA-N
MW420.30 g/mol
LogP4.17
Rot. Bonds6

About 5-bromo-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one

5-bromo-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one (PubChem CID 43912718) has the molecular formula C20H22BrNO4 and a molecular weight of 420.30 g/mol. Its IUPAC name is 5-bromo-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one.

Molecular Properties

Compound Name5-bromo-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one
PubChem CID43912718
Molecular FormulaC20H22BrNO4
Molecular Weight420.30 g/mol
Exact Mass419.07
IUPAC Name5-bromo-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one
SMILESCCN1C(=O)C(Cc2c(OC)cc(OC)cc2OC)c2cc(Br)ccc21
InChIInChI=1S/C20H22BrNO4/c1-5-22-17-7-6-12(21)8-14(17)15(20(22)23)11-16-18(25-3)9-13(24-2)10-19(16)26-4/h6-10,15H,5,11H2,1-4H3
InChIKeyAGUKMHVNYAQSLE-UHFFFAOYSA-N
XLogP4.17
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.30
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-5-bromo-3-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one
CID 26367906
(3S)-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one
CID 51539737
(3R)-5-bromo-1-ethyl-3-[(2-fluorophenyl)methyl]-3H-indol-2-one
CID 26367927
(3R)-5-bromo-1-ethyl-3-[(4-methylsulfanylphenyl)methyl]-3H-indol-2-one
CID 26367872
(3R)-3-[(2,5-dimethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one
CID 26367875
2-[(5-bromo-1-ethyl-2-oxo-3H-indol-3-yl)methyl]-3-ethylquinazolin-4-one
CID 23606632
2-[[(3R)-5-bromo-1-ethyl-2-oxo-3H-indol-3-yl]methyl]-3-ethylquinazolin-4-one
CID 92716945
(3S)-5-bromo-3-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3H-indol-2-one
CID 51539659
5-bromo-1-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one
CID 43912542
3-[(2-aminophenyl)methyl]-5-bromo-1-propyl-3H-indol-2-one
CID 24827966
(3R)-1-ethyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one
CID 26367748
2-[(5-bromo-1-ethyl-2-oxo-3H-indol-3-yl)methyl]-3-(3-hydroxypropyl)quinazolin-4-one
CID 20895001

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one?
The IUPAC name of 5-bromo-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one (CID 43912718) is 5-bromo-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one.
What is the SMILES notation for 5-bromo-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one?
The canonical SMILES for 5-bromo-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one is CCN1C(=O)C(Cc2c(OC)cc(OC)cc2OC)c2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one?
The InChIKey is AGUKMHVNYAQSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrNO4/c1-5-22-17-7-6-12(21)8-14(17)15(20(22)23)11-16-18(25-3)9-13(24-2)10-19(16)26-4/h6-10,15H,5,11H2,1-4H3.
What are the key properties of 5-bromo-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one?
5-bromo-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one has a molecular weight of 420.30 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one is sourced from PubChem (CID 43912718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).