3-morpholin-4-yl-1H-quinoxalin-2-one

C12H13N3O2 — CID 2388925

IUPAC3-morpholin-4-yl-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1N1CCOCC1
InChIInChI=1S/C12H13N3O2/c16-12-11(15-5-7-17-8-6-15)13-9-3-1-2-4-10(9)14-12/h1-4H,5-8H2,(H,14,16)
InChIKeyXGIHSLWERDNSQU-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.76
Rot. Bonds1

About 3-morpholin-4-yl-1H-quinoxalin-2-one

3-morpholin-4-yl-1H-quinoxalin-2-one (PubChem CID 2388925) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-morpholin-4-yl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-morpholin-4-yl-1H-quinoxalin-2-one
PubChem CID2388925
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name3-morpholin-4-yl-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1N1CCOCC1
InChIInChI=1S/C12H13N3O2/c16-12-11(15-5-7-17-8-6-15)13-9-3-1-2-4-10(9)14-12/h1-4H,5-8H2,(H,14,16)
InChIKeyXGIHSLWERDNSQU-UHFFFAOYSA-N
XLogP0.76
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-1H-quinoxalin-2-one?
The IUPAC name of 3-morpholin-4-yl-1H-quinoxalin-2-one (CID 2388925) is 3-morpholin-4-yl-1H-quinoxalin-2-one.
What is the SMILES notation for 3-morpholin-4-yl-1H-quinoxalin-2-one?
The canonical SMILES for 3-morpholin-4-yl-1H-quinoxalin-2-one is O=c1[nH]c2ccccc2nc1N1CCOCC1.
What is the InChIKey of 3-morpholin-4-yl-1H-quinoxalin-2-one?
The InChIKey is XGIHSLWERDNSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c16-12-11(15-5-7-17-8-6-15)13-9-3-1-2-4-10(9)14-12/h1-4H,5-8H2,(H,14,16).
What are the key properties of 3-morpholin-4-yl-1H-quinoxalin-2-one?
3-morpholin-4-yl-1H-quinoxalin-2-one has a molecular weight of 231.25 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-1H-quinoxalin-2-one is sourced from PubChem (CID 2388925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).