6-pyridin-3-yl-3,4-dihydro-1H-quinoxalin-2-one

C13H11N3O — CID 67199421

IUPAC6-pyridin-3-yl-3,4-dihydro-1H-quinoxalin-2-one
SMILESO=C1CNc2cc(-c3cccnc3)ccc2N1
InChIInChI=1S/C13H11N3O/c17-13-8-15-12-6-9(3-4-11(12)16-13)10-2-1-5-14-7-10/h1-7,15H,8H2,(H,16,17)
InChIKeyVYEXMRMIGUHUSB-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.11
Rot. Bonds1

About 6-pyridin-3-yl-3,4-dihydro-1H-quinoxalin-2-one

6-pyridin-3-yl-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 67199421) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 6-pyridin-3-yl-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name6-pyridin-3-yl-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID67199421
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name6-pyridin-3-yl-3,4-dihydro-1H-quinoxalin-2-one
SMILESO=C1CNc2cc(-c3cccnc3)ccc2N1
InChIInChI=1S/C13H11N3O/c17-13-8-15-12-6-9(3-4-11(12)16-13)10-2-1-5-14-7-10/h1-7,15H,8H2,(H,16,17)
InChIKeyVYEXMRMIGUHUSB-UHFFFAOYSA-N
XLogP2.11
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-pyridin-3-yl-3,4-dihydro-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 6-pyridin-3-yl-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 6-pyridin-3-yl-3,4-dihydro-1H-quinoxalin-2-one (CID 67199421) is 6-pyridin-3-yl-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 6-pyridin-3-yl-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 6-pyridin-3-yl-3,4-dihydro-1H-quinoxalin-2-one is O=C1CNc2cc(-c3cccnc3)ccc2N1.
What is the InChIKey of 6-pyridin-3-yl-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is VYEXMRMIGUHUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c17-13-8-15-12-6-9(3-4-11(12)16-13)10-2-1-5-14-7-10/h1-7,15H,8H2,(H,16,17).
What are the key properties of 6-pyridin-3-yl-3,4-dihydro-1H-quinoxalin-2-one?
6-pyridin-3-yl-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 225.25 g/mol, XLogP of 2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-3-yl-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 67199421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).