ethyl 1-benzyl-2-[(2,4-dichlorobenzoyl)amino]pyrrolo[3,2-b]quinoxaline-3-carboxylate

C27H20Cl2N4O3 — CID 2327443

IUPACethyl 1-benzyl-2-[(2,4-dichlorobenzoyl)amino]pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)n(Cc2ccccc2)c2nc3ccccc3nc12
InChIInChI=1S/C27H20Cl2N4O3/c1-2-36-27(35)22-23-25(31-21-11-7-6-10-20(21)30-23)33(15-16-8-4-3-5-9-16)24(22)32-26(34)18-13-12-17(28)14-19(18)29/h3-14H,2,15H2,1H3,(H,32,34)
InChIKeyWZDIFGUIZHVLBA-UHFFFAOYSA-N
MW519.39 g/mol
LogP6.37
Rot. Bonds6

About ethyl 1-benzyl-2-[(2,4-dichlorobenzoyl)amino]pyrrolo[3,2-b]quinoxaline-3-carboxylate

ethyl 1-benzyl-2-[(2,4-dichlorobenzoyl)amino]pyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 2327443) has the molecular formula C27H20Cl2N4O3 and a molecular weight of 519.39 g/mol. Its IUPAC name is ethyl 1-benzyl-2-[(2,4-dichlorobenzoyl)amino]pyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzyl-2-[(2,4-dichlorobenzoyl)amino]pyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID2327443
Molecular FormulaC27H20Cl2N4O3
Molecular Weight519.39 g/mol
Exact Mass518.09
IUPAC Nameethyl 1-benzyl-2-[(2,4-dichlorobenzoyl)amino]pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)n(Cc2ccccc2)c2nc3ccccc3nc12
InChIInChI=1S/C27H20Cl2N4O3/c1-2-36-27(35)22-23-25(31-21-11-7-6-10-20(21)30-23)33(15-16-8-4-3-5-9-16)24(22)32-26(34)18-13-12-17(28)14-19(18)29/h3-14H,2,15H2,1H3,(H,32,34)
InChIKeyWZDIFGUIZHVLBA-UHFFFAOYSA-N
XLogP6.37
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.39
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 1-benzyl-2-[(2,4-dichlorobenzoyl)amino]pyrrolo[3,2-b]quinoxaline-3-carboxylate with MolForge

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Related Compounds

ethyl 2-[(4-chlorobenzoyl)amino]-1-pentylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 4829790
ethyl 2-acetamido-1-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 1341359
ethyl 1-benzyl-2-[3-(3-nitrophenyl)prop-2-enoylamino]pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 3726757
ethyl 5-[(2,4-dichlorobenzoyl)amino]-1-phenylpyrazole-4-carboxylate
CID 4547350
ethyl 2-(propanoylamino)-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 23732155
N-(3-amino-1-benzylpyrrolo[3,2-b]quinoxalin-2-yl)furan-2-carboxamide
CID 70292168
ethyl 3-benzyl-5-[(4-chloro-2-methylbenzoyl)amino]-2-methylsulfanylimidazole-4-carboxylate
CID 143159300
ethyl 2-(4-chlorophenyl)-1-methylpyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 102130030
diethyl 5-[(2,4-dichlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 1115915
N-(1-benzyl-5-methylpyrazol-3-yl)-2,4-dichlorobenzamide
CID 19335076
ethyl 2-[(3-bromobenzoyl)amino]-1-[(2S)-2-ethylhexyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2384137
2,4-dichloro-N-(2-methylquinolin-5-yl)benzamide
CID 6462273

Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzyl-2-[(2,4-dichlorobenzoyl)amino]pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of ethyl 1-benzyl-2-[(2,4-dichlorobenzoyl)amino]pyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 2327443) is ethyl 1-benzyl-2-[(2,4-dichlorobenzoyl)amino]pyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for ethyl 1-benzyl-2-[(2,4-dichlorobenzoyl)amino]pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for ethyl 1-benzyl-2-[(2,4-dichlorobenzoyl)amino]pyrrolo[3,2-b]quinoxaline-3-carboxylate is CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)n(Cc2ccccc2)c2nc3ccccc3nc12.
What is the InChIKey of ethyl 1-benzyl-2-[(2,4-dichlorobenzoyl)amino]pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is WZDIFGUIZHVLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20Cl2N4O3/c1-2-36-27(35)22-23-25(31-21-11-7-6-10-20(21)30-23)33(15-16-8-4-3-5-9-16)24(22)32-26(34)18-13-12-17(28)14-19(18)29/h3-14H,2,15H2,1H3,(H,32,34).
What are the key properties of ethyl 1-benzyl-2-[(2,4-dichlorobenzoyl)amino]pyrrolo[3,2-b]quinoxaline-3-carboxylate?
ethyl 1-benzyl-2-[(2,4-dichlorobenzoyl)amino]pyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 519.39 g/mol, XLogP of 6.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzyl-2-[(2,4-dichlorobenzoyl)amino]pyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 2327443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).