ethyl 1-(1,3-benzodioxol-5-yl)-5-methoxyindole-2-carboxylate

C19H17NO5 — CID 101012963

IUPACethyl 1-(1,3-benzodioxol-5-yl)-5-methoxyindole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(OC)ccc2n1-c1ccc2c(c1)OCO2
InChIInChI=1S/C19H17NO5/c1-3-23-19(21)16-9-12-8-14(22-2)5-6-15(12)20(16)13-4-7-17-18(10-13)25-11-24-17/h4-10H,3,11H2,1-2H3
InChIKeyGDIXUHXCIBRUTI-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.54
Rot. Bonds4

About ethyl 1-(1,3-benzodioxol-5-yl)-5-methoxyindole-2-carboxylate

ethyl 1-(1,3-benzodioxol-5-yl)-5-methoxyindole-2-carboxylate (PubChem CID 101012963) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is ethyl 1-(1,3-benzodioxol-5-yl)-5-methoxyindole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1,3-benzodioxol-5-yl)-5-methoxyindole-2-carboxylate
PubChem CID101012963
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Nameethyl 1-(1,3-benzodioxol-5-yl)-5-methoxyindole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(OC)ccc2n1-c1ccc2c(c1)OCO2
InChIInChI=1S/C19H17NO5/c1-3-23-19(21)16-9-12-8-14(22-2)5-6-15(12)20(16)13-4-7-17-18(10-13)25-11-24-17/h4-10H,3,11H2,1-2H3
InChIKeyGDIXUHXCIBRUTI-UHFFFAOYSA-N
XLogP3.54
TPSA58.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1-(1,3-benzodioxol-5-yl)-5-methoxyindole-2-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

ethyl 1-(4-ethoxycarbonylphenyl)-5-methoxyindole-2-carboxylate
CID 15881356
ethyl 5-methoxy-1-prop-2-enylindole-2-carboxylate
CID 71427681
ethyl 1-(1,3-benzodioxol-5-yl)-3-(2,1,3-benzothiadiazol-4-ylamino)-5-methoxyindole-2-carboxylate
CID 166606903
ethyl 1-(1,3-benzodioxol-5-yl)-2-(2-ethoxy-2-oxoethyl)-5-hydroxyindole-3-carboxylate
CID 66658069
3-(1,3-benzodioxol-5-yl)-6-methoxy-2-methylquinazolin-4-one
CID 42507232
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451
ethyl 5-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)indole-2-carboxylate
CID 68963470
ethyl 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-2H-pyrrolo[2,3-d]pyrimidine-2-carboxylate
CID 18940661
ethyl 5-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate
CID 68699963
[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 113079610
1-[1-(4-fluorophenyl)-5-methoxyindol-2-yl]-2-iodoethanone
CID 170307381
diethyl 4-(1,3-benzodioxol-5-yl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 10761728

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1,3-benzodioxol-5-yl)-5-methoxyindole-2-carboxylate?
The IUPAC name of ethyl 1-(1,3-benzodioxol-5-yl)-5-methoxyindole-2-carboxylate (CID 101012963) is ethyl 1-(1,3-benzodioxol-5-yl)-5-methoxyindole-2-carboxylate.
What is the SMILES notation for ethyl 1-(1,3-benzodioxol-5-yl)-5-methoxyindole-2-carboxylate?
The canonical SMILES for ethyl 1-(1,3-benzodioxol-5-yl)-5-methoxyindole-2-carboxylate is CCOC(=O)c1cc2cc(OC)ccc2n1-c1ccc2c(c1)OCO2.
What is the InChIKey of ethyl 1-(1,3-benzodioxol-5-yl)-5-methoxyindole-2-carboxylate?
The InChIKey is GDIXUHXCIBRUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-3-23-19(21)16-9-12-8-14(22-2)5-6-15(12)20(16)13-4-7-17-18(10-13)25-11-24-17/h4-10H,3,11H2,1-2H3.
What are the key properties of ethyl 1-(1,3-benzodioxol-5-yl)-5-methoxyindole-2-carboxylate?
ethyl 1-(1,3-benzodioxol-5-yl)-5-methoxyindole-2-carboxylate has a molecular weight of 339.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1,3-benzodioxol-5-yl)-5-methoxyindole-2-carboxylate is sourced from PubChem (CID 101012963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).