ethyl 2-acetamido-1-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

C23H22N4O3 — CID 1341359

IUPACethyl 2-acetamido-1-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCOC(=O)c1c(NC(C)=O)n(CCc2ccccc2)c2nc3ccccc3nc12
InChIInChI=1S/C23H22N4O3/c1-3-30-23(29)19-20-22(26-18-12-8-7-11-17(18)25-20)27(21(19)24-15(2)28)14-13-16-9-5-4-6-10-16/h4-12H,3,13-14H2,1-2H3,(H,24,28)
InChIKeyAYEWMSCRROILLC-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.96
Rot. Bonds6

About ethyl 2-acetamido-1-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

ethyl 2-acetamido-1-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 1341359) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is ethyl 2-acetamido-1-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-acetamido-1-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID1341359
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Nameethyl 2-acetamido-1-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCOC(=O)c1c(NC(C)=O)n(CCc2ccccc2)c2nc3ccccc3nc12
InChIInChI=1S/C23H22N4O3/c1-3-30-23(29)19-20-22(26-18-12-8-7-11-17(18)25-20)27(21(19)24-15(2)28)14-13-16-9-5-4-6-10-16/h4-12H,3,13-14H2,1-2H3,(H,24,28)
InChIKeyAYEWMSCRROILLC-UHFFFAOYSA-N
XLogP3.96
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamido-1-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of ethyl 2-acetamido-1-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 1341359) is ethyl 2-acetamido-1-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for ethyl 2-acetamido-1-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for ethyl 2-acetamido-1-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is CCOC(=O)c1c(NC(C)=O)n(CCc2ccccc2)c2nc3ccccc3nc12.
What is the InChIKey of ethyl 2-acetamido-1-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is AYEWMSCRROILLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-3-30-23(29)19-20-22(26-18-12-8-7-11-17(18)25-20)27(21(19)24-15(2)28)14-13-16-9-5-4-6-10-16/h4-12H,3,13-14H2,1-2H3,(H,24,28).
What are the key properties of ethyl 2-acetamido-1-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
ethyl 2-acetamido-1-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 402.45 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-1-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 1341359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).