1-benzyl-2-(furan-2-carbonylamino)-N-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

C26H23N5O4 — CID 659547

IUPAC1-benzyl-2-(furan-2-carbonylamino)-N-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCOCCNC(=O)c1c(NC(=O)c2ccco2)n(Cc2ccccc2)c2nc3ccccc3nc12
InChIInChI=1S/C26H23N5O4/c1-34-15-13-27-26(33)21-22-24(29-19-11-6-5-10-18(19)28-22)31(16-17-8-3-2-4-9-17)23(21)30-25(32)20-12-7-14-35-20/h2-12,14H,13,15-16H2,1H3,(H,27,33)(H,30,32)
InChIKeyHCFNVMKEOPZLBL-UHFFFAOYSA-N
MW469.50 g/mol
LogP3.85
Rot. Bonds8

About 1-benzyl-2-(furan-2-carbonylamino)-N-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

1-benzyl-2-(furan-2-carbonylamino)-N-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 659547) has the molecular formula C26H23N5O4 and a molecular weight of 469.50 g/mol. Its IUPAC name is 1-benzyl-2-(furan-2-carbonylamino)-N-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-2-(furan-2-carbonylamino)-N-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID659547
Molecular FormulaC26H23N5O4
Molecular Weight469.50 g/mol
Exact Mass469.18
IUPAC Name1-benzyl-2-(furan-2-carbonylamino)-N-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCOCCNC(=O)c1c(NC(=O)c2ccco2)n(Cc2ccccc2)c2nc3ccccc3nc12
InChIInChI=1S/C26H23N5O4/c1-34-15-13-27-26(33)21-22-24(29-19-11-6-5-10-18(19)28-22)31(16-17-8-3-2-4-9-17)23(21)30-25(32)20-12-7-14-35-20/h2-12,14H,13,15-16H2,1H3,(H,27,33)(H,30,32)
InChIKeyHCFNVMKEOPZLBL-UHFFFAOYSA-N
XLogP3.85
TPSA111.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(furan-2-carbonylamino)-N-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 1-benzyl-2-(furan-2-carbonylamino)-N-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 659547) is 1-benzyl-2-(furan-2-carbonylamino)-N-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 1-benzyl-2-(furan-2-carbonylamino)-N-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 1-benzyl-2-(furan-2-carbonylamino)-N-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is COCCNC(=O)c1c(NC(=O)c2ccco2)n(Cc2ccccc2)c2nc3ccccc3nc12.
What is the InChIKey of 1-benzyl-2-(furan-2-carbonylamino)-N-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is HCFNVMKEOPZLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O4/c1-34-15-13-27-26(33)21-22-24(29-19-11-6-5-10-18(19)28-22)31(16-17-8-3-2-4-9-17)23(21)30-25(32)20-12-7-14-35-20/h2-12,14H,13,15-16H2,1H3,(H,27,33)(H,30,32).
What are the key properties of 1-benzyl-2-(furan-2-carbonylamino)-N-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
1-benzyl-2-(furan-2-carbonylamino)-N-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 469.50 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(furan-2-carbonylamino)-N-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 659547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).