methyl 3-[(2-methoxy-4-methoxycarbonylphenyl)methyl]-1H-indole-5-carboxylate

C20H19NO5 — CID 11100285

IUPACmethyl 3-[(2-methoxy-4-methoxycarbonylphenyl)methyl]-1H-indole-5-carboxylate
SMILESCOC(=O)c1ccc(Cc2c[nH]c3ccc(C(=O)OC)cc23)c(OC)c1
InChIInChI=1S/C20H19NO5/c1-24-18-10-14(20(23)26-3)5-4-12(18)8-15-11-21-17-7-6-13(9-16(15)17)19(22)25-2/h4-7,9-11,21H,8H2,1-3H3
InChIKeyGBXUJLXMYUUUMP-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.34
Rot. Bonds5

About methyl 3-[(2-methoxy-4-methoxycarbonylphenyl)methyl]-1H-indole-5-carboxylate

methyl 3-[(2-methoxy-4-methoxycarbonylphenyl)methyl]-1H-indole-5-carboxylate (PubChem CID 11100285) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is methyl 3-[(2-methoxy-4-methoxycarbonylphenyl)methyl]-1H-indole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-methoxy-4-methoxycarbonylphenyl)methyl]-1H-indole-5-carboxylate
PubChem CID11100285
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Namemethyl 3-[(2-methoxy-4-methoxycarbonylphenyl)methyl]-1H-indole-5-carboxylate
SMILESCOC(=O)c1ccc(Cc2c[nH]c3ccc(C(=O)OC)cc23)c(OC)c1
InChIInChI=1S/C20H19NO5/c1-24-18-10-14(20(23)26-3)5-4-12(18)8-15-11-21-17-7-6-13(9-16(15)17)19(22)25-2/h4-7,9-11,21H,8H2,1-3H3
InChIKeyGBXUJLXMYUUUMP-UHFFFAOYSA-N
XLogP3.34
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(2-methoxy-4-methoxycarbonylphenyl)methyl]-1H-indole-5-carboxylate 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

methyl 3-methoxy-4-[[5-(3-methylbutylcarbamoyl)-1H-indol-3-yl]methyl]benzoate
CID 10364106
methyl 4-[(5-bromo-6-nitro-1H-indol-3-yl)methyl]-3-methoxybenzoate
CID 70474471
methyl 4-[[5-[(2-cyclopentylacetyl)amino]-1H-indol-3-yl]methyl]-3-methoxybenzoate
CID 23365836
methyl 4-[[5-(2-ethylhexanoylamino)-1H-indol-3-yl]methyl]-3-methoxybenzoate
CID 23365894
methyl 3-methoxy-4-(methoxymethyl)benzoate
CID 134128516
methyl 3-ethyl-1H-indole-6-carboxylate
CID 22627226
methyl 3-[(4-carbonochloridoyl-2-methoxyphenyl)methyl]-1-methylindole-5-carboxylate
CID 19011120
methyl 3-cyano-1H-indole-5-carboxylate
CID 19603726
N-[7-(hydroxyamino)-7-oxoheptyl]-3-methoxy-4-[(5-nitro-1H-indol-3-yl)methyl]benzamide
CID 175583205
methyl 3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole-5-carboxylate
CID 15288323
methyl 4-(2-aminoethyl)-3-methoxybenzoate;hydrochloride
CID 67396298
methyl 3-(1H-indol-3-ylmethyl)-2-methyl-1H-indole-6-carboxylate
CID 163421235

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-methoxy-4-methoxycarbonylphenyl)methyl]-1H-indole-5-carboxylate?
The IUPAC name of methyl 3-[(2-methoxy-4-methoxycarbonylphenyl)methyl]-1H-indole-5-carboxylate (CID 11100285) is methyl 3-[(2-methoxy-4-methoxycarbonylphenyl)methyl]-1H-indole-5-carboxylate.
What is the SMILES notation for methyl 3-[(2-methoxy-4-methoxycarbonylphenyl)methyl]-1H-indole-5-carboxylate?
The canonical SMILES for methyl 3-[(2-methoxy-4-methoxycarbonylphenyl)methyl]-1H-indole-5-carboxylate is COC(=O)c1ccc(Cc2c[nH]c3ccc(C(=O)OC)cc23)c(OC)c1.
What is the InChIKey of methyl 3-[(2-methoxy-4-methoxycarbonylphenyl)methyl]-1H-indole-5-carboxylate?
The InChIKey is GBXUJLXMYUUUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-24-18-10-14(20(23)26-3)5-4-12(18)8-15-11-21-17-7-6-13(9-16(15)17)19(22)25-2/h4-7,9-11,21H,8H2,1-3H3.
What are the key properties of methyl 3-[(2-methoxy-4-methoxycarbonylphenyl)methyl]-1H-indole-5-carboxylate?
methyl 3-[(2-methoxy-4-methoxycarbonylphenyl)methyl]-1H-indole-5-carboxylate has a molecular weight of 353.37 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-methoxy-4-methoxycarbonylphenyl)methyl]-1H-indole-5-carboxylate is sourced from PubChem (CID 11100285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).