ethyl 4-[(2,6-dichlorophenyl)methyl]-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate

C17H16Cl2N2O2 — CID 1438797

IUPACethyl 4-[(2,6-dichlorophenyl)methyl]-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2c(ccn2C)n1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C17H16Cl2N2O2/c1-3-23-17(22)16-9-15-14(7-8-20(15)2)21(16)10-11-12(18)5-4-6-13(11)19/h4-9H,3,10H2,1-2H3
InChIKeyLKWJHTZXCAQUPL-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.51
Rot. Bonds4

About ethyl 4-[(2,6-dichlorophenyl)methyl]-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate

ethyl 4-[(2,6-dichlorophenyl)methyl]-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate (PubChem CID 1438797) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is ethyl 4-[(2,6-dichlorophenyl)methyl]-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2,6-dichlorophenyl)methyl]-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate
PubChem CID1438797
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Nameethyl 4-[(2,6-dichlorophenyl)methyl]-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2c(ccn2C)n1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C17H16Cl2N2O2/c1-3-23-17(22)16-9-15-14(7-8-20(15)2)21(16)10-11-12(18)5-4-6-13(11)19/h4-9H,3,10H2,1-2H3
InChIKeyLKWJHTZXCAQUPL-UHFFFAOYSA-N
XLogP4.51
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[(2,6-dichlorophenyl)methyl]-1-methylpyrrolo[3,2-b]pyrrole-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

ethyl 1-methyl-4-[(4-propan-2-ylphenyl)methyl]pyrrolo[3,2-b]pyrrole-5-carboxylate
CID 3231599
ethyl 4-[(4-cyanophenyl)methyl]-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate
CID 1449812
ethyl 1-[(2,6-dichlorophenyl)methyl]pyrrole-2-carboxylate
CID 105422030
methyl 4-(2-ethoxy-2-oxoethyl)-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate
CID 6488323
methyl 4-[(2,4-dichlorophenyl)methyl]-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate
CID 1449795
ethyl 3-[(2,6-dichlorophenyl)methyl]-2-oxobenzimidazole-1-carboxylate
CID 1484093
ethyl 3-[(2,6-dichlorophenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 18681136
ethyl 1-methyl-4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyrrolo[3,2-b]pyrrole-5-carboxylate
CID 1451207
ethyl 3-[4-[(2,6-dichlorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyrazole-5-carboxylate
CID 19279430
ethyl 4-bromo-1-[(3,4-dichlorophenyl)methyl]indole-2-carboxylate
CID 22311024
ethyl 1-[(4-methylphenyl)methyl]indole-2-carboxylate
CID 155536959
1-[(3,4-dichlorophenyl)methyl]-2-ethoxycarbonylindole-4-diazonium
CID 18522124

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2,6-dichlorophenyl)methyl]-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of ethyl 4-[(2,6-dichlorophenyl)methyl]-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate (CID 1438797) is ethyl 4-[(2,6-dichlorophenyl)methyl]-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethyl 4-[(2,6-dichlorophenyl)methyl]-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for ethyl 4-[(2,6-dichlorophenyl)methyl]-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate is CCOC(=O)c1cc2c(ccn2C)n1Cc1c(Cl)cccc1Cl.
What is the InChIKey of ethyl 4-[(2,6-dichlorophenyl)methyl]-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is LKWJHTZXCAQUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-3-23-17(22)16-9-15-14(7-8-20(15)2)21(16)10-11-12(18)5-4-6-13(11)19/h4-9H,3,10H2,1-2H3.
What are the key properties of ethyl 4-[(2,6-dichlorophenyl)methyl]-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate?
ethyl 4-[(2,6-dichlorophenyl)methyl]-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 351.23 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2,6-dichlorophenyl)methyl]-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 1438797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).