4-(2-oxobutyl)-1,3-dihydroquinoxalin-2-one

C12H14N2O2 — CID 62040796

IUPAC4-(2-oxobutyl)-1,3-dihydroquinoxalin-2-one
SMILESCCC(=O)CN1CC(=O)Nc2ccccc21
InChIInChI=1S/C12H14N2O2/c1-2-9(15)7-14-8-12(16)13-10-5-3-4-6-11(10)14/h3-6H,2,7-8H2,1H3,(H,13,16)
InChIKeyCTEDCFQADPUFNY-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.42
Rot. Bonds3

About 4-(2-oxobutyl)-1,3-dihydroquinoxalin-2-one

4-(2-oxobutyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 62040796) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-(2-oxobutyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(2-oxobutyl)-1,3-dihydroquinoxalin-2-one
PubChem CID62040796
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name4-(2-oxobutyl)-1,3-dihydroquinoxalin-2-one
SMILESCCC(=O)CN1CC(=O)Nc2ccccc21
InChIInChI=1S/C12H14N2O2/c1-2-9(15)7-14-8-12(16)13-10-5-3-4-6-11(10)14/h3-6H,2,7-8H2,1H3,(H,13,16)
InChIKeyCTEDCFQADPUFNY-UHFFFAOYSA-N
XLogP1.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2-methylphenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one
CID 62051768
4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one
CID 60679627
4-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one
CID 60679628
ethyl 3-hydroxy-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoate
CID 82774900
3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanamide
CID 55028632
4-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one
CID 60679864
N-(2-aminoethyl)-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide
CID 61206948
N-[(3-oxo-2,4-dihydroquinoxalin-1-yl)methyl]benzamide
CID 140516633
4-benzyl-1,3-dihydroquinoxalin-2-one
CID 759495
4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one
CID 117006568
4-(2-propanoylphenyl)-1,3-dihydroquinoxalin-2-one
CID 115994549
N-hydroxy-4-[(3-oxo-2,4-dihydroquinoxalin-1-yl)methyl]benzamide
CID 16661455

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxobutyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(2-oxobutyl)-1,3-dihydroquinoxalin-2-one (CID 62040796) is 4-(2-oxobutyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(2-oxobutyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(2-oxobutyl)-1,3-dihydroquinoxalin-2-one is CCC(=O)CN1CC(=O)Nc2ccccc21.
What is the InChIKey of 4-(2-oxobutyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is CTEDCFQADPUFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-2-9(15)7-14-8-12(16)13-10-5-3-4-6-11(10)14/h3-6H,2,7-8H2,1H3,(H,13,16).
What are the key properties of 4-(2-oxobutyl)-1,3-dihydroquinoxalin-2-one?
4-(2-oxobutyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 218.26 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxobutyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 62040796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).