methyl 1-[(3,5-dichloro-2-methoxyphenyl)methyl]-6-methoxyindole-5-carboxylate

C19H17Cl2NO4 — CID 141367529

IUPACmethyl 1-[(3,5-dichloro-2-methoxyphenyl)methyl]-6-methoxyindole-5-carboxylate
SMILESCOC(=O)c1cc2ccn(Cc3cc(Cl)cc(Cl)c3OC)c2cc1OC
InChIInChI=1S/C19H17Cl2NO4/c1-24-17-9-16-11(7-14(17)19(23)26-3)4-5-22(16)10-12-6-13(20)8-15(21)18(12)25-2/h4-9H,10H2,1-3H3
InChIKeyJFVPNACRPYTHMM-UHFFFAOYSA-N
MW394.25 g/mol
LogP4.80
Rot. Bonds5

About methyl 1-[(3,5-dichloro-2-methoxyphenyl)methyl]-6-methoxyindole-5-carboxylate

methyl 1-[(3,5-dichloro-2-methoxyphenyl)methyl]-6-methoxyindole-5-carboxylate (PubChem CID 141367529) has the molecular formula C19H17Cl2NO4 and a molecular weight of 394.25 g/mol. Its IUPAC name is methyl 1-[(3,5-dichloro-2-methoxyphenyl)methyl]-6-methoxyindole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(3,5-dichloro-2-methoxyphenyl)methyl]-6-methoxyindole-5-carboxylate
PubChem CID141367529
Molecular FormulaC19H17Cl2NO4
Molecular Weight394.25 g/mol
Exact Mass393.05
IUPAC Namemethyl 1-[(3,5-dichloro-2-methoxyphenyl)methyl]-6-methoxyindole-5-carboxylate
SMILESCOC(=O)c1cc2ccn(Cc3cc(Cl)cc(Cl)c3OC)c2cc1OC
InChIInChI=1S/C19H17Cl2NO4/c1-24-17-9-16-11(7-14(17)19(23)26-3)4-5-22(16)10-12-6-13(20)8-15(21)18(12)25-2/h4-9H,10H2,1-3H3
InChIKeyJFVPNACRPYTHMM-UHFFFAOYSA-N
XLogP4.80
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.25
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-[(3,5-dichloro-2-methoxyphenyl)methyl]-6-methoxyindole-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

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(3,5-dichloro-2-methoxyphenyl)methyl]-6-methoxyindole-5-carboxylate?
The IUPAC name of methyl 1-[(3,5-dichloro-2-methoxyphenyl)methyl]-6-methoxyindole-5-carboxylate (CID 141367529) is methyl 1-[(3,5-dichloro-2-methoxyphenyl)methyl]-6-methoxyindole-5-carboxylate.
What is the SMILES notation for methyl 1-[(3,5-dichloro-2-methoxyphenyl)methyl]-6-methoxyindole-5-carboxylate?
The canonical SMILES for methyl 1-[(3,5-dichloro-2-methoxyphenyl)methyl]-6-methoxyindole-5-carboxylate is COC(=O)c1cc2ccn(Cc3cc(Cl)cc(Cl)c3OC)c2cc1OC.
What is the InChIKey of methyl 1-[(3,5-dichloro-2-methoxyphenyl)methyl]-6-methoxyindole-5-carboxylate?
The InChIKey is JFVPNACRPYTHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2NO4/c1-24-17-9-16-11(7-14(17)19(23)26-3)4-5-22(16)10-12-6-13(20)8-15(21)18(12)25-2/h4-9H,10H2,1-3H3.
What are the key properties of methyl 1-[(3,5-dichloro-2-methoxyphenyl)methyl]-6-methoxyindole-5-carboxylate?
methyl 1-[(3,5-dichloro-2-methoxyphenyl)methyl]-6-methoxyindole-5-carboxylate has a molecular weight of 394.25 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(3,5-dichloro-2-methoxyphenyl)methyl]-6-methoxyindole-5-carboxylate is sourced from PubChem (CID 141367529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).