2,6-dimethyl-4-pyrrolo[1,2-a]quinoxalin-4-ylmorpholine

C17H19N3O — CID 19978068

IUPAC2,6-dimethyl-4-pyrrolo[1,2-a]quinoxalin-4-ylmorpholine
SMILESCC1CN(c2nc3ccccc3n3cccc23)CC(C)O1
InChIInChI=1S/C17H19N3O/c1-12-10-19(11-13(2)21-12)17-16-8-5-9-20(16)15-7-4-3-6-14(15)18-17/h3-9,12-13H,10-11H2,1-2H3
InChIKeyLSABEHLLNHIICI-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.10
Rot. Bonds1

About 2,6-dimethyl-4-pyrrolo[1,2-a]quinoxalin-4-ylmorpholine

2,6-dimethyl-4-pyrrolo[1,2-a]quinoxalin-4-ylmorpholine (PubChem CID 19978068) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2,6-dimethyl-4-pyrrolo[1,2-a]quinoxalin-4-ylmorpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-pyrrolo[1,2-a]quinoxalin-4-ylmorpholine
PubChem CID19978068
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2,6-dimethyl-4-pyrrolo[1,2-a]quinoxalin-4-ylmorpholine
SMILESCC1CN(c2nc3ccccc3n3cccc23)CC(C)O1
InChIInChI=1S/C17H19N3O/c1-12-10-19(11-13(2)21-12)17-16-8-5-9-20(16)15-7-4-3-6-14(15)18-17/h3-9,12-13H,10-11H2,1-2H3
InChIKeyLSABEHLLNHIICI-UHFFFAOYSA-N
XLogP3.10
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-pyrrolo[1,2-a]quinoxalin-4-ylmorpholine?
The IUPAC name of 2,6-dimethyl-4-pyrrolo[1,2-a]quinoxalin-4-ylmorpholine (CID 19978068) is 2,6-dimethyl-4-pyrrolo[1,2-a]quinoxalin-4-ylmorpholine.
What is the SMILES notation for 2,6-dimethyl-4-pyrrolo[1,2-a]quinoxalin-4-ylmorpholine?
The canonical SMILES for 2,6-dimethyl-4-pyrrolo[1,2-a]quinoxalin-4-ylmorpholine is CC1CN(c2nc3ccccc3n3cccc23)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-pyrrolo[1,2-a]quinoxalin-4-ylmorpholine?
The InChIKey is LSABEHLLNHIICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-10-19(11-13(2)21-12)17-16-8-5-9-20(16)15-7-4-3-6-14(15)18-17/h3-9,12-13H,10-11H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-pyrrolo[1,2-a]quinoxalin-4-ylmorpholine?
2,6-dimethyl-4-pyrrolo[1,2-a]quinoxalin-4-ylmorpholine has a molecular weight of 281.36 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-pyrrolo[1,2-a]quinoxalin-4-ylmorpholine is sourced from PubChem (CID 19978068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).