2-amino-1-[2-(2-fluorophenyl)ethyl]-N-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

C24H20FN5O2 — CID 2009147

IUPAC2-amino-1-[2-(2-fluorophenyl)ethyl]-N-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESNc1c(C(=O)NCc2ccco2)c2nc3ccccc3nc2n1CCc1ccccc1F
InChIInChI=1S/C24H20FN5O2/c25-17-8-2-1-6-15(17)11-12-30-22(26)20(24(31)27-14-16-7-5-13-32-16)21-23(30)29-19-10-4-3-9-18(19)28-21/h1-10,13H,11-12,14,26H2,(H,27,31)
InChIKeyZPZAKSKIRBLEKV-UHFFFAOYSA-N
MW429.46 g/mol
LogP4.07
Rot. Bonds6

About 2-amino-1-[2-(2-fluorophenyl)ethyl]-N-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

2-amino-1-[2-(2-fluorophenyl)ethyl]-N-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 2009147) has the molecular formula C24H20FN5O2 and a molecular weight of 429.46 g/mol. Its IUPAC name is 2-amino-1-[2-(2-fluorophenyl)ethyl]-N-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-[2-(2-fluorophenyl)ethyl]-N-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID2009147
Molecular FormulaC24H20FN5O2
Molecular Weight429.46 g/mol
Exact Mass429.16
IUPAC Name2-amino-1-[2-(2-fluorophenyl)ethyl]-N-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESNc1c(C(=O)NCc2ccco2)c2nc3ccccc3nc2n1CCc1ccccc1F
InChIInChI=1S/C24H20FN5O2/c25-17-8-2-1-6-15(17)11-12-30-22(26)20(24(31)27-14-16-7-5-13-32-16)21-23(30)29-19-10-4-3-9-18(19)28-21/h1-10,13H,11-12,14,26H2,(H,27,31)
InChIKeyZPZAKSKIRBLEKV-UHFFFAOYSA-N
XLogP4.07
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

AC1903
CID 667146
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2-amino-N-[(4-fluorophenyl)methyl]-6-(furan-2-yl)purine-9-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(2-fluorophenyl)ethyl]-N-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 2-amino-1-[2-(2-fluorophenyl)ethyl]-N-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 2009147) is 2-amino-1-[2-(2-fluorophenyl)ethyl]-N-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 2-amino-1-[2-(2-fluorophenyl)ethyl]-N-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 2-amino-1-[2-(2-fluorophenyl)ethyl]-N-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is Nc1c(C(=O)NCc2ccco2)c2nc3ccccc3nc2n1CCc1ccccc1F.
What is the InChIKey of 2-amino-1-[2-(2-fluorophenyl)ethyl]-N-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is ZPZAKSKIRBLEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O2/c25-17-8-2-1-6-15(17)11-12-30-22(26)20(24(31)27-14-16-7-5-13-32-16)21-23(30)29-19-10-4-3-9-18(19)28-21/h1-10,13H,11-12,14,26H2,(H,27,31).
What are the key properties of 2-amino-1-[2-(2-fluorophenyl)ethyl]-N-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
2-amino-1-[2-(2-fluorophenyl)ethyl]-N-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 429.46 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(2-fluorophenyl)ethyl]-N-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 2009147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).