3-[(3,3-dimethylmorpholin-4-yl)methyl]-1H-quinoxalin-2-one

C15H19N3O2 — CID 86774553

IUPAC3-[(3,3-dimethylmorpholin-4-yl)methyl]-1H-quinoxalin-2-one
SMILESCC1(C)COCCN1Cc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C15H19N3O2/c1-15(2)10-20-8-7-18(15)9-13-14(19)17-12-6-4-3-5-11(12)16-13/h3-6H,7-10H2,1-2H3,(H,17,19)
InChIKeyAYYXHRFAVXZHSL-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.53
Rot. Bonds2

About 3-[(3,3-dimethylmorpholin-4-yl)methyl]-1H-quinoxalin-2-one

3-[(3,3-dimethylmorpholin-4-yl)methyl]-1H-quinoxalin-2-one (PubChem CID 86774553) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[(3,3-dimethylmorpholin-4-yl)methyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[(3,3-dimethylmorpholin-4-yl)methyl]-1H-quinoxalin-2-one
PubChem CID86774553
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-[(3,3-dimethylmorpholin-4-yl)methyl]-1H-quinoxalin-2-one
SMILESCC1(C)COCCN1Cc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C15H19N3O2/c1-15(2)10-20-8-7-18(15)9-13-14(19)17-12-6-4-3-5-11(12)16-13/h3-6H,7-10H2,1-2H3,(H,17,19)
InChIKeyAYYXHRFAVXZHSL-UHFFFAOYSA-N
XLogP1.53
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(3,3-dimethylmorpholin-4-yl)methyl]-1H-quinoxalin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-dimethylmorpholin-4-yl)methyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[(3,3-dimethylmorpholin-4-yl)methyl]-1H-quinoxalin-2-one (CID 86774553) is 3-[(3,3-dimethylmorpholin-4-yl)methyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[(3,3-dimethylmorpholin-4-yl)methyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[(3,3-dimethylmorpholin-4-yl)methyl]-1H-quinoxalin-2-one is CC1(C)COCCN1Cc1nc2ccccc2[nH]c1=O.
What is the InChIKey of 3-[(3,3-dimethylmorpholin-4-yl)methyl]-1H-quinoxalin-2-one?
The InChIKey is AYYXHRFAVXZHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(2)10-20-8-7-18(15)9-13-14(19)17-12-6-4-3-5-11(12)16-13/h3-6H,7-10H2,1-2H3,(H,17,19).
What are the key properties of 3-[(3,3-dimethylmorpholin-4-yl)methyl]-1H-quinoxalin-2-one?
3-[(3,3-dimethylmorpholin-4-yl)methyl]-1H-quinoxalin-2-one has a molecular weight of 273.34 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-dimethylmorpholin-4-yl)methyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 86774553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).