3-benzyl-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine

C21H24N4O — CID 11624425

IUPAC3-benzyl-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine
SMILESc1ccc(Cc2nc3ccccc3nc2NCCN2CCOCC2)cc1
InChIInChI=1S/C21H24N4O/c1-2-6-17(7-3-1)16-20-21(22-10-11-25-12-14-26-15-13-25)24-19-9-5-4-8-18(19)23-20/h1-9H,10-16H2,(H,22,24)
InChIKeyJEKWAIMSNCODJF-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.96
Rot. Bonds6

About 3-benzyl-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine

3-benzyl-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine (PubChem CID 11624425) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-benzyl-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine.

Molecular Properties

Compound Name3-benzyl-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine
PubChem CID11624425
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name3-benzyl-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine
SMILESc1ccc(Cc2nc3ccccc3nc2NCCN2CCOCC2)cc1
InChIInChI=1S/C21H24N4O/c1-2-6-17(7-3-1)16-20-21(22-10-11-25-12-14-26-15-13-25)24-19-9-5-4-8-18(19)23-20/h1-9H,10-16H2,(H,22,24)
InChIKeyJEKWAIMSNCODJF-UHFFFAOYSA-N
XLogP2.96
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine?
The IUPAC name of 3-benzyl-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine (CID 11624425) is 3-benzyl-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine.
What is the SMILES notation for 3-benzyl-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine?
The canonical SMILES for 3-benzyl-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine is c1ccc(Cc2nc3ccccc3nc2NCCN2CCOCC2)cc1.
What is the InChIKey of 3-benzyl-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine?
The InChIKey is JEKWAIMSNCODJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-2-6-17(7-3-1)16-20-21(22-10-11-25-12-14-26-15-13-25)24-19-9-5-4-8-18(19)23-20/h1-9H,10-16H2,(H,22,24).
What are the key properties of 3-benzyl-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine?
3-benzyl-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine has a molecular weight of 348.45 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine is sourced from PubChem (CID 11624425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).