2-amino-1-[2-(2-fluorophenyl)ethyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

C25H27FN6O2 — CID 659087

IUPAC2-amino-1-[2-(2-fluorophenyl)ethyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESNc1c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc2n1CCc1ccccc1F
InChIInChI=1S/C25H27FN6O2/c26-18-6-2-1-5-17(18)9-11-32-23(27)21(25(33)28-10-12-31-13-15-34-16-14-31)22-24(32)30-20-8-4-3-7-19(20)29-22/h1-8H,9-16,27H2,(H,28,33)
InChIKeyIWPOCNRXNKJCJZ-UHFFFAOYSA-N
MW462.53 g/mol
LogP2.61
Rot. Bonds7

About 2-amino-1-[2-(2-fluorophenyl)ethyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

2-amino-1-[2-(2-fluorophenyl)ethyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 659087) has the molecular formula C25H27FN6O2 and a molecular weight of 462.53 g/mol. Its IUPAC name is 2-amino-1-[2-(2-fluorophenyl)ethyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-[2-(2-fluorophenyl)ethyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID659087
Molecular FormulaC25H27FN6O2
Molecular Weight462.53 g/mol
Exact Mass462.22
IUPAC Name2-amino-1-[2-(2-fluorophenyl)ethyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESNc1c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc2n1CCc1ccccc1F
InChIInChI=1S/C25H27FN6O2/c26-18-6-2-1-5-17(18)9-11-32-23(27)21(25(33)28-10-12-31-13-15-34-16-14-31)22-24(32)30-20-8-4-3-7-19(20)29-22/h1-8H,9-16,27H2,(H,28,33)
InChIKeyIWPOCNRXNKJCJZ-UHFFFAOYSA-N
XLogP2.61
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(2-fluorophenyl)ethyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 2-amino-1-[2-(2-fluorophenyl)ethyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 659087) is 2-amino-1-[2-(2-fluorophenyl)ethyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 2-amino-1-[2-(2-fluorophenyl)ethyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 2-amino-1-[2-(2-fluorophenyl)ethyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is Nc1c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc2n1CCc1ccccc1F.
What is the InChIKey of 2-amino-1-[2-(2-fluorophenyl)ethyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is IWPOCNRXNKJCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O2/c26-18-6-2-1-5-17(18)9-11-32-23(27)21(25(33)28-10-12-31-13-15-34-16-14-31)22-24(32)30-20-8-4-3-7-19(20)29-22/h1-8H,9-16,27H2,(H,28,33).
What are the key properties of 2-amino-1-[2-(2-fluorophenyl)ethyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?
2-amino-1-[2-(2-fluorophenyl)ethyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 462.53 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(2-fluorophenyl)ethyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 659087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).