4-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one

C15H14N2O2S — CID 60679628

IUPAC4-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one
SMILESCc1ccc(C(=O)CN2CC(=O)Nc3ccccc32)s1
InChIInChI=1S/C15H14N2O2S/c1-10-6-7-14(20-10)13(18)8-17-9-15(19)16-11-4-2-3-5-12(11)17/h2-7H,8-9H2,1H3,(H,16,19)
InChIKeyVDPOVSHYHAPWBQ-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.70
Rot. Bonds3

About 4-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one

4-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 60679628) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 4-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one
PubChem CID60679628
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name4-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one
SMILESCc1ccc(C(=O)CN2CC(=O)Nc3ccccc32)s1
InChIInChI=1S/C15H14N2O2S/c1-10-6-7-14(20-10)13(18)8-17-9-15(19)16-11-4-2-3-5-12(11)17/h2-7H,8-9H2,1H3,(H,16,19)
InChIKeyVDPOVSHYHAPWBQ-UHFFFAOYSA-N
XLogP2.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one
CID 60679627
4-[2-(2-methylphenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one
CID 62051768
4-(2-oxobutyl)-1,3-dihydroquinoxalin-2-one
CID 62040796
4-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one
CID 60679864
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 43227229
3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanamide
CID 55028632
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
ethyl 3-hydroxy-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoate
CID 82774900

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one (CID 60679628) is 4-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one is Cc1ccc(C(=O)CN2CC(=O)Nc3ccccc32)s1.
What is the InChIKey of 4-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is VDPOVSHYHAPWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-10-6-7-14(20-10)13(18)8-17-9-15(19)16-11-4-2-3-5-12(11)17/h2-7H,8-9H2,1H3,(H,16,19).
What are the key properties of 4-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one?
4-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 286.36 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 60679628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).