3-butan-2-yl-3,4-dihydro-1H-quinoxalin-2-one

C12H16N2O — CID 50915973

IUPAC3-butan-2-yl-3,4-dihydro-1H-quinoxalin-2-one
SMILESCCC(C)C1Nc2ccccc2NC1=O
InChIInChI=1S/C12H16N2O/c1-3-8(2)11-12(15)14-10-7-5-4-6-9(10)13-11/h4-8,11,13H,3H2,1-2H3,(H,14,15)
InChIKeyUSEJKDHPEGYAPK-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.47
Rot. Bonds2

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

3-butan-2-yl-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 50915973) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-butan-2-yl-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-butan-2-yl-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID50915973
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-butan-2-yl-3,4-dihydro-1H-quinoxalin-2-one
SMILESCCC(C)C1Nc2ccccc2NC1=O
InChIInChI=1S/C12H16N2O/c1-3-8(2)11-12(15)14-10-7-5-4-6-9(10)13-11/h4-8,11,13H,3H2,1-2H3,(H,14,15)
InChIKeyUSEJKDHPEGYAPK-UHFFFAOYSA-N
XLogP2.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-butan-2-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 3-butan-2-yl-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 3-butan-2-yl-3,4-dihydro-1H-quinoxalin-2-one (CID 50915973) is 3-butan-2-yl-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 3-butan-2-yl-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 3-butan-2-yl-3,4-dihydro-1H-quinoxalin-2-one is CCC(C)C1Nc2ccccc2NC1=O.
What is the InChIKey of 3-butan-2-yl-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is USEJKDHPEGYAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-3-8(2)11-12(15)14-10-7-5-4-6-9(10)13-11/h4-8,11,13H,3H2,1-2H3,(H,14,15).
What are the key properties of 3-butan-2-yl-3,4-dihydro-1H-quinoxalin-2-one?
3-butan-2-yl-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 204.27 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 50915973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).