methyl 4,5-dichloro-1-methyl-6-(2-oxohexoxy)indole-2-carboxylate

C17H19Cl2NO4 — CID 161280688

IUPACmethyl 4,5-dichloro-1-methyl-6-(2-oxohexoxy)indole-2-carboxylate
SMILESCCCCC(=O)COc1cc2c(cc(C(=O)OC)n2C)c(Cl)c1Cl
InChIInChI=1S/C17H19Cl2NO4/c1-4-5-6-10(21)9-24-14-8-12-11(15(18)16(14)19)7-13(20(12)2)17(22)23-3/h7-8H,4-6,9H2,1-3H3
InChIKeyCXGMNJZUKCWRAA-UHFFFAOYSA-N
MW372.25 g/mol
LogP4.41
Rot. Bonds7

About methyl 4,5-dichloro-1-methyl-6-(2-oxohexoxy)indole-2-carboxylate

methyl 4,5-dichloro-1-methyl-6-(2-oxohexoxy)indole-2-carboxylate (PubChem CID 161280688) has the molecular formula C17H19Cl2NO4 and a molecular weight of 372.25 g/mol. Its IUPAC name is methyl 4,5-dichloro-1-methyl-6-(2-oxohexoxy)indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4,5-dichloro-1-methyl-6-(2-oxohexoxy)indole-2-carboxylate
PubChem CID161280688
Molecular FormulaC17H19Cl2NO4
Molecular Weight372.25 g/mol
Exact Mass371.07
IUPAC Namemethyl 4,5-dichloro-1-methyl-6-(2-oxohexoxy)indole-2-carboxylate
SMILESCCCCC(=O)COc1cc2c(cc(C(=O)OC)n2C)c(Cl)c1Cl
InChIInChI=1S/C17H19Cl2NO4/c1-4-5-6-10(21)9-24-14-8-12-11(15(18)16(14)19)7-13(20(12)2)17(22)23-3/h7-8H,4-6,9H2,1-3H3
InChIKeyCXGMNJZUKCWRAA-UHFFFAOYSA-N
XLogP4.41
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.25
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4,5-dichloro-1-methyl-6-(2-oxohexoxy)indole-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

Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dichloro-1-methyl-6-(2-oxohexoxy)indole-2-carboxylate?
The IUPAC name of methyl 4,5-dichloro-1-methyl-6-(2-oxohexoxy)indole-2-carboxylate (CID 161280688) is methyl 4,5-dichloro-1-methyl-6-(2-oxohexoxy)indole-2-carboxylate.
What is the SMILES notation for methyl 4,5-dichloro-1-methyl-6-(2-oxohexoxy)indole-2-carboxylate?
The canonical SMILES for methyl 4,5-dichloro-1-methyl-6-(2-oxohexoxy)indole-2-carboxylate is CCCCC(=O)COc1cc2c(cc(C(=O)OC)n2C)c(Cl)c1Cl.
What is the InChIKey of methyl 4,5-dichloro-1-methyl-6-(2-oxohexoxy)indole-2-carboxylate?
The InChIKey is CXGMNJZUKCWRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO4/c1-4-5-6-10(21)9-24-14-8-12-11(15(18)16(14)19)7-13(20(12)2)17(22)23-3/h7-8H,4-6,9H2,1-3H3.
What are the key properties of methyl 4,5-dichloro-1-methyl-6-(2-oxohexoxy)indole-2-carboxylate?
methyl 4,5-dichloro-1-methyl-6-(2-oxohexoxy)indole-2-carboxylate has a molecular weight of 372.25 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dichloro-1-methyl-6-(2-oxohexoxy)indole-2-carboxylate is sourced from PubChem (CID 161280688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).