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

C23H24N6O2 — CID 659081

IUPAC2-amino-N-(2-morpholin-4-ylethyl)-1-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESNc1c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc2n1-c1ccccc1
InChIInChI=1S/C23H24N6O2/c24-21-19(23(30)25-10-11-28-12-14-31-15-13-28)20-22(29(21)16-6-2-1-3-7-16)27-18-9-5-4-8-17(18)26-20/h1-9H,10-15,24H2,(H,25,30)
InChIKeyNMDRMVHJCSDRFA-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.22
Rot. Bonds5

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

2-amino-N-(2-morpholin-4-ylethyl)-1-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 659081) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 2-amino-N-(2-morpholin-4-ylethyl)-1-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-morpholin-4-ylethyl)-1-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID659081
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name2-amino-N-(2-morpholin-4-ylethyl)-1-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESNc1c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc2n1-c1ccccc1
InChIInChI=1S/C23H24N6O2/c24-21-19(23(30)25-10-11-28-12-14-31-15-13-28)20-22(29(21)16-6-2-1-3-7-16)27-18-9-5-4-8-17(18)26-20/h1-9H,10-15,24H2,(H,25,30)
InChIKeyNMDRMVHJCSDRFA-UHFFFAOYSA-N
XLogP2.22
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-morpholin-4-ylethyl)-1-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 2-amino-N-(2-morpholin-4-ylethyl)-1-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 659081) is 2-amino-N-(2-morpholin-4-ylethyl)-1-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 2-amino-N-(2-morpholin-4-ylethyl)-1-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 2-amino-N-(2-morpholin-4-ylethyl)-1-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide is Nc1c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc2n1-c1ccccc1.
What is the InChIKey of 2-amino-N-(2-morpholin-4-ylethyl)-1-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is NMDRMVHJCSDRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c24-21-19(23(30)25-10-11-28-12-14-31-15-13-28)20-22(29(21)16-6-2-1-3-7-16)27-18-9-5-4-8-17(18)26-20/h1-9H,10-15,24H2,(H,25,30).
What are the key properties of 2-amino-N-(2-morpholin-4-ylethyl)-1-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide?
2-amino-N-(2-morpholin-4-ylethyl)-1-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 416.49 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-morpholin-4-ylethyl)-1-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 659081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).