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

C16H16N2O2S — CID 60679627

IUPAC4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one
SMILESCCc1ccc(C(=O)CN2CC(=O)Nc3ccccc32)s1
InChIInChI=1S/C16H16N2O2S/c1-2-11-7-8-15(21-11)14(19)9-18-10-16(20)17-12-5-3-4-6-13(12)18/h3-8H,2,9-10H2,1H3,(H,17,20)
InChIKeySZBBXTNJXKAIKP-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.95
Rot. Bonds4

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

4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 60679627) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one
PubChem CID60679627
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one
SMILESCCc1ccc(C(=O)CN2CC(=O)Nc3ccccc32)s1
InChIInChI=1S/C16H16N2O2S/c1-2-11-7-8-15(21-11)14(19)9-18-10-16(20)17-12-5-3-4-6-13(12)18/h3-8H,2,9-10H2,1H3,(H,17,20)
InChIKeySZBBXTNJXKAIKP-UHFFFAOYSA-N
XLogP2.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one
CID 60679628
4-[2-(2-methylphenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one
CID 62051768
4-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one
CID 60679864
4-(5-ethylthiophene-2-carbonyl)piperazine-2,6-dione
CID 66085509
2-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 62019524
3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64835117
1-(5-ethylthiophen-2-yl)-2-pyrrolidin-1-ylethanone
CID 43227597
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-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3-dihydroquinoxalin-2-one
CID 79772293
(5-ethylthiophen-2-yl)-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)methanone
CID 115311250

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one (CID 60679627) is 4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one is CCc1ccc(C(=O)CN2CC(=O)Nc3ccccc32)s1.
What is the InChIKey of 4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is SZBBXTNJXKAIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-2-11-7-8-15(21-11)14(19)9-18-10-16(20)17-12-5-3-4-6-13(12)18/h3-8H,2,9-10H2,1H3,(H,17,20).
What are the key properties of 4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one?
4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 300.38 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 60679627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).