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

C19H20BrNO4 — CID 43912542

IUPAC5-bromo-1-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one
SMILESCOc1ccc(CC2C(=O)N(C)c3ccc(Br)cc32)c(OC)c1OC
InChIInChI=1S/C19H20BrNO4/c1-21-15-7-6-12(20)10-13(15)14(19(21)22)9-11-5-8-16(23-2)18(25-4)17(11)24-3/h5-8,10,14H,9H2,1-4H3
InChIKeyKEWQDNJWIQFNCM-UHFFFAOYSA-N
MW406.28 g/mol
LogP3.78
Rot. Bonds5

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

5-bromo-1-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one (PubChem CID 43912542) has the molecular formula C19H20BrNO4 and a molecular weight of 406.28 g/mol. Its IUPAC name is 5-bromo-1-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one.

Molecular Properties

Compound Name5-bromo-1-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one
PubChem CID43912542
Molecular FormulaC19H20BrNO4
Molecular Weight406.28 g/mol
Exact Mass405.06
IUPAC Name5-bromo-1-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one
SMILESCOc1ccc(CC2C(=O)N(C)c3ccc(Br)cc32)c(OC)c1OC
InChIInChI=1S/C19H20BrNO4/c1-21-15-7-6-12(20)10-13(15)14(19(21)22)9-11-5-8-16(23-2)18(25-4)17(11)24-3/h5-8,10,14H,9H2,1-4H3
InChIKeyKEWQDNJWIQFNCM-UHFFFAOYSA-N
XLogP3.78
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.28
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-1-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-5-bromo-3-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3H-indol-2-one
CID 51539659
5-bromo-1-methyl-3-[(2-methylphenyl)methyl]-3H-indol-2-one
CID 43912532
(3R)-5-bromo-3-[(2,5-dimethylphenyl)methyl]-1-methyl-3H-indol-2-one
CID 98160001
3-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-methyl-3H-indol-2-one
CID 43912424
(3R)-5-bromo-3-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one
CID 26367906
(3R)-1-ethyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one
CID 26367748
5-[(4-methoxynaphthalen-1-yl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 171982462
1-phenyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one
CID 43912762
(3S)-3-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-methyl-3H-indol-2-one
CID 98160352
5-bromo-1-methyl-3-(2,2,2-trifluoroethyl)-3H-indol-2-one
CID 102339887
5-bromo-3-[(3,7-dimethyl-1-benzofuran-2-yl)methyl]-1-methyl-3H-indol-2-one
CID 43912529
5-bromo-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one
CID 43912718

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one?
The IUPAC name of 5-bromo-1-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one (CID 43912542) is 5-bromo-1-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one.
What is the SMILES notation for 5-bromo-1-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one?
The canonical SMILES for 5-bromo-1-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one is COc1ccc(CC2C(=O)N(C)c3ccc(Br)cc32)c(OC)c1OC.
What is the InChIKey of 5-bromo-1-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one?
The InChIKey is KEWQDNJWIQFNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO4/c1-21-15-7-6-12(20)10-13(15)14(19(21)22)9-11-5-8-16(23-2)18(25-4)17(11)24-3/h5-8,10,14H,9H2,1-4H3.
What are the key properties of 5-bromo-1-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one?
5-bromo-1-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one has a molecular weight of 406.28 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]-3H-indol-2-one is sourced from PubChem (CID 43912542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).