3-[(4-methoxy-1,3-dihydroisoindol-2-yl)methyl]-5-methyl-1H-indole

C19H20N2O — CID 171676178

IUPAC3-[(4-methoxy-1,3-dihydroisoindol-2-yl)methyl]-5-methyl-1H-indole
SMILESCOc1cccc2c1CN(Cc1c[nH]c3ccc(C)cc13)C2
InChIInChI=1S/C19H20N2O/c1-13-6-7-18-16(8-13)15(9-20-18)11-21-10-14-4-3-5-19(22-2)17(14)12-21/h3-9,20H,10-12H2,1-2H3
InChIKeyNVOKRQUASMWMOC-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.00
Rot. Bonds3

About 3-[(4-methoxy-1,3-dihydroisoindol-2-yl)methyl]-5-methyl-1H-indole

3-[(4-methoxy-1,3-dihydroisoindol-2-yl)methyl]-5-methyl-1H-indole (PubChem CID 171676178) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[(4-methoxy-1,3-dihydroisoindol-2-yl)methyl]-5-methyl-1H-indole.

Molecular Properties

Compound Name3-[(4-methoxy-1,3-dihydroisoindol-2-yl)methyl]-5-methyl-1H-indole
PubChem CID171676178
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name3-[(4-methoxy-1,3-dihydroisoindol-2-yl)methyl]-5-methyl-1H-indole
SMILESCOc1cccc2c1CN(Cc1c[nH]c3ccc(C)cc13)C2
InChIInChI=1S/C19H20N2O/c1-13-6-7-18-16(8-13)15(9-20-18)11-21-10-14-4-3-5-19(22-2)17(14)12-21/h3-9,20H,10-12H2,1-2H3
InChIKeyNVOKRQUASMWMOC-UHFFFAOYSA-N
XLogP4.00
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(4-methoxy-1,3-dihydroisoindol-2-yl)methyl]-5-methyl-1H-indole 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

3-[(5-fluoro-1,3-dihydroisoindol-2-yl)methyl]-5-methyl-1H-indole
CID 171676189
5-methyl-3-(piperazin-1-ylmethyl)-1H-indole
CID 82277559
3-(3-methoxyphenyl)-1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-3-ol
CID 91156516
5-methoxy-2-(5H-pyrrolo[2,3-b]pyrazin-7-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 100626262
3-[[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1H-indole
CID 712566
2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-4-amine
CID 43370116
3-(1,4-diazepan-1-ylmethyl)-5-methyl-1H-indole
CID 82497500
2,6-dimethoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide
CID 17271734
3-[(2-fluorophenoxy)methyl]-5-methyl-1H-indole
CID 117185110
7-[(5-methyl-1H-indol-3-yl)methyl]-2-(4-methylphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931103
(1R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanol
CID 51586351
2-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1,3-dihydroisoindole
CID 70790411

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxy-1,3-dihydroisoindol-2-yl)methyl]-5-methyl-1H-indole?
The IUPAC name of 3-[(4-methoxy-1,3-dihydroisoindol-2-yl)methyl]-5-methyl-1H-indole (CID 171676178) is 3-[(4-methoxy-1,3-dihydroisoindol-2-yl)methyl]-5-methyl-1H-indole.
What is the SMILES notation for 3-[(4-methoxy-1,3-dihydroisoindol-2-yl)methyl]-5-methyl-1H-indole?
The canonical SMILES for 3-[(4-methoxy-1,3-dihydroisoindol-2-yl)methyl]-5-methyl-1H-indole is COc1cccc2c1CN(Cc1c[nH]c3ccc(C)cc13)C2.
What is the InChIKey of 3-[(4-methoxy-1,3-dihydroisoindol-2-yl)methyl]-5-methyl-1H-indole?
The InChIKey is NVOKRQUASMWMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-13-6-7-18-16(8-13)15(9-20-18)11-21-10-14-4-3-5-19(22-2)17(14)12-21/h3-9,20H,10-12H2,1-2H3.
What are the key properties of 3-[(4-methoxy-1,3-dihydroisoindol-2-yl)methyl]-5-methyl-1H-indole?
3-[(4-methoxy-1,3-dihydroisoindol-2-yl)methyl]-5-methyl-1H-indole has a molecular weight of 292.38 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxy-1,3-dihydroisoindol-2-yl)methyl]-5-methyl-1H-indole is sourced from PubChem (CID 171676178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).