3-(2-oxobutyl)-3,4-dihydro-1H-quinoxalin-2-one

C12H14N2O2 — CID 71363678

IUPAC3-(2-oxobutyl)-3,4-dihydro-1H-quinoxalin-2-one
SMILESCCC(=O)CC1Nc2ccccc2NC1=O
InChIInChI=1S/C12H14N2O2/c1-2-8(15)7-11-12(16)14-10-6-4-3-5-9(10)13-11/h3-6,11,13H,2,7H2,1H3,(H,14,16)
InChIKeyPNVMHLCCDFVSDF-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.79
Rot. Bonds3

About 3-(2-oxobutyl)-3,4-dihydro-1H-quinoxalin-2-one

3-(2-oxobutyl)-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 71363678) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(2-oxobutyl)-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-(2-oxobutyl)-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID71363678
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-(2-oxobutyl)-3,4-dihydro-1H-quinoxalin-2-one
SMILESCCC(=O)CC1Nc2ccccc2NC1=O
InChIInChI=1S/C12H14N2O2/c1-2-8(15)7-11-12(16)14-10-6-4-3-5-9(10)13-11/h3-6,11,13H,2,7H2,1H3,(H,14,16)
InChIKeyPNVMHLCCDFVSDF-UHFFFAOYSA-N
XLogP1.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxobutyl)-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 3-(2-oxobutyl)-3,4-dihydro-1H-quinoxalin-2-one (CID 71363678) is 3-(2-oxobutyl)-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 3-(2-oxobutyl)-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 3-(2-oxobutyl)-3,4-dihydro-1H-quinoxalin-2-one is CCC(=O)CC1Nc2ccccc2NC1=O.
What is the InChIKey of 3-(2-oxobutyl)-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is PNVMHLCCDFVSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-2-8(15)7-11-12(16)14-10-6-4-3-5-9(10)13-11/h3-6,11,13H,2,7H2,1H3,(H,14,16).
What are the key properties of 3-(2-oxobutyl)-3,4-dihydro-1H-quinoxalin-2-one?
3-(2-oxobutyl)-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 218.26 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxobutyl)-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 71363678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).