3-(2,6-dimethylmorpholin-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinoxalin-2-amine

C21H28N6O — CID 133444786

IUPAC3-(2,6-dimethylmorpholin-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinoxalin-2-amine
SMILESCCc1nn(C)cc1CNc1nc2ccccc2nc1N1CC(C)OC(C)C1
InChIInChI=1S/C21H28N6O/c1-5-17-16(13-26(4)25-17)10-22-20-21(27-11-14(2)28-15(3)12-27)24-19-9-7-6-8-18(19)23-20/h6-9,13-15H,5,10-12H2,1-4H3,(H,22,23)
InChIKeyHVOZKFOMGRHZBY-UHFFFAOYSA-N
MW380.50 g/mol
LogP3.15
Rot. Bonds5

About 3-(2,6-dimethylmorpholin-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinoxalin-2-amine

3-(2,6-dimethylmorpholin-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinoxalin-2-amine (PubChem CID 133444786) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinoxalin-2-amine.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinoxalin-2-amine
PubChem CID133444786
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinoxalin-2-amine
SMILESCCc1nn(C)cc1CNc1nc2ccccc2nc1N1CC(C)OC(C)C1
InChIInChI=1S/C21H28N6O/c1-5-17-16(13-26(4)25-17)10-22-20-21(27-11-14(2)28-15(3)12-27)24-19-9-7-6-8-18(19)23-20/h6-9,13-15H,5,10-12H2,1-4H3,(H,22,23)
InChIKeyHVOZKFOMGRHZBY-UHFFFAOYSA-N
XLogP3.15
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(2,6-dimethylmorpholin-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinoxalin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,6-dimethylmorpholin-4-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinoxalin-2-amine
CID 71846707
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]isoquinolin-1-amine
CID 115990474
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-benzimidazol-2-amine
CID 112550005
4-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]butanoic acid
CID 122058685
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-amine
CID 102987519
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylphthalazin-1-amine
CID 115887018
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridin-2-amine
CID 112672293
N-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]benzenesulfonamide
CID 4106272
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cinnolin-4-amine
CID 115990483
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenol
CID 112668893
3-[3-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]propyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137248421
4-[[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 133378380

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinoxalin-2-amine?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinoxalin-2-amine (CID 133444786) is 3-(2,6-dimethylmorpholin-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinoxalin-2-amine.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinoxalin-2-amine?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinoxalin-2-amine is CCc1nn(C)cc1CNc1nc2ccccc2nc1N1CC(C)OC(C)C1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinoxalin-2-amine?
The InChIKey is HVOZKFOMGRHZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c1-5-17-16(13-26(4)25-17)10-22-20-21(27-11-14(2)28-15(3)12-27)24-19-9-7-6-8-18(19)23-20/h6-9,13-15H,5,10-12H2,1-4H3,(H,22,23).
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinoxalin-2-amine?
3-(2,6-dimethylmorpholin-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinoxalin-2-amine has a molecular weight of 380.50 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinoxalin-2-amine is sourced from PubChem (CID 133444786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).