bis(4-methoxy-2-methyl-1H-indol-3-yl)methanone

C21H20N2O3 — CID 143294111

IUPACbis(4-methoxy-2-methyl-1H-indol-3-yl)methanone
SMILESCOc1cccc2[nH]c(C)c(C(=O)c3c(C)[nH]c4cccc(OC)c34)c12
InChIInChI=1S/C21H20N2O3/c1-11-17(19-13(22-11)7-5-9-15(19)25-3)21(24)18-12(2)23-14-8-6-10-16(26-4)20(14)18/h5-10,22-23H,1-4H3
InChIKeyOVPWKGHXEXVSSK-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.51
Rot. Bonds4

About bis(4-methoxy-2-methyl-1H-indol-3-yl)methanone

bis(4-methoxy-2-methyl-1H-indol-3-yl)methanone (PubChem CID 143294111) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is bis(4-methoxy-2-methyl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Namebis(4-methoxy-2-methyl-1H-indol-3-yl)methanone
PubChem CID143294111
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Namebis(4-methoxy-2-methyl-1H-indol-3-yl)methanone
SMILESCOc1cccc2[nH]c(C)c(C(=O)c3c(C)[nH]c4cccc(OC)c34)c12
InChIInChI=1S/C21H20N2O3/c1-11-17(19-13(22-11)7-5-9-15(19)25-3)21(24)18-12(2)23-14-8-6-10-16(26-4)20(14)18/h5-10,22-23H,1-4H3
InChIKeyOVPWKGHXEXVSSK-UHFFFAOYSA-N
XLogP4.51
TPSA67.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze bis(4-methoxy-2-methyl-1H-indol-3-yl)methanone 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

1-(4-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
CID 82279193
(E)-3-(4-methoxy-2-methyl-1H-indol-3-yl)but-2-enoic acid
CID 82279144
N,N-diethyl-4-methoxy-2-methyl-1H-indole-3-carboxamide
CID 110855129
5-methoxy-2,3-dimethyl-1H-quinolin-4-one
CID 119083522
N-cyclopentyl-4-methoxy-2-methyl-1H-indole-3-carboxamide
CID 110848681
3,4-dihydro-1H-isoquinolin-2-yl-(4-methoxy-2-methyl-1H-indol-3-yl)methanone
CID 110852347
4-methoxy-2-methyl-N-quinolin-8-yl-1H-indole-3-carboxamide
CID 110863455
4-fluoro-N-(2-methoxyphenyl)-2-methyl-1H-indole-3-carboxamide
CID 110859828
(4-methoxy-2-phenyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 122183344
2-(4-ethoxy-2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 59170340
4-hydroxy-5-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 68862785
ethyl 3-formyl-4-methoxy-1H-indole-2-carboxylate
CID 154727990

Frequently Asked Questions

What is the IUPAC name of bis(4-methoxy-2-methyl-1H-indol-3-yl)methanone?
The IUPAC name of bis(4-methoxy-2-methyl-1H-indol-3-yl)methanone (CID 143294111) is bis(4-methoxy-2-methyl-1H-indol-3-yl)methanone.
What is the SMILES notation for bis(4-methoxy-2-methyl-1H-indol-3-yl)methanone?
The canonical SMILES for bis(4-methoxy-2-methyl-1H-indol-3-yl)methanone is COc1cccc2[nH]c(C)c(C(=O)c3c(C)[nH]c4cccc(OC)c34)c12.
What is the InChIKey of bis(4-methoxy-2-methyl-1H-indol-3-yl)methanone?
The InChIKey is OVPWKGHXEXVSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-11-17(19-13(22-11)7-5-9-15(19)25-3)21(24)18-12(2)23-14-8-6-10-16(26-4)20(14)18/h5-10,22-23H,1-4H3.
What are the key properties of bis(4-methoxy-2-methyl-1H-indol-3-yl)methanone?
bis(4-methoxy-2-methyl-1H-indol-3-yl)methanone has a molecular weight of 348.40 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methoxy-2-methyl-1H-indol-3-yl)methanone is sourced from PubChem (CID 143294111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).