1-(2-phenylethyl)-3-thiophen-2-ylquinoxalin-2-one

C20H16N2OS — CID 4789379

IUPAC1-(2-phenylethyl)-3-thiophen-2-ylquinoxalin-2-one
SMILESO=c1c(-c2cccs2)nc2ccccc2n1CCc1ccccc1
InChIInChI=1S/C20H16N2OS/c23-20-19(18-11-6-14-24-18)21-16-9-4-5-10-17(16)22(20)13-12-15-7-2-1-3-8-15/h1-11,14H,12-13H2
InChIKeyUUTHQSFUJWGIDD-UHFFFAOYSA-N
MW332.43 g/mol
LogP4.37
Rot. Bonds4

About 1-(2-phenylethyl)-3-thiophen-2-ylquinoxalin-2-one

1-(2-phenylethyl)-3-thiophen-2-ylquinoxalin-2-one (PubChem CID 4789379) has the molecular formula C20H16N2OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-(2-phenylethyl)-3-thiophen-2-ylquinoxalin-2-one.

Molecular Properties

Compound Name1-(2-phenylethyl)-3-thiophen-2-ylquinoxalin-2-one
PubChem CID4789379
Molecular FormulaC20H16N2OS
Molecular Weight332.43 g/mol
Exact Mass332.10
IUPAC Name1-(2-phenylethyl)-3-thiophen-2-ylquinoxalin-2-one
SMILESO=c1c(-c2cccs2)nc2ccccc2n1CCc1ccccc1
InChIInChI=1S/C20H16N2OS/c23-20-19(18-11-6-14-24-18)21-16-9-4-5-10-17(16)22(20)13-12-15-7-2-1-3-8-15/h1-11,14H,12-13H2
InChIKeyUUTHQSFUJWGIDD-UHFFFAOYSA-N
XLogP4.37
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-thiophen-2-ylquinoxalin-2-one
CID 90202221
4-(2-phenylethyl)-1-thiophen-2-yl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 18590345
1-(3-phenylpropyl)-2-(thiophen-2-ylmethyl)benzimidazole
CID 19243007
1-[(E)-3-phenylprop-2-enyl]-2-thiophen-2-ylbenzimidazole
CID 17000270
1-methyl-2-thiophen-2-ylbenzimidazole
CID 931177
2-[(2-chlorophenyl)methyl]-1-(2-phenylethyl)benzimidazole
CID 16995695
1-[(3-chlorophenyl)methyl]-2-thiophen-2-ylbenzimidazole
CID 4227677
1-(naphthalen-2-ylmethyl)-2-thiophen-2-ylbenzimidazole
CID 4305398
N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975605
1-(2-bromoprop-2-enyl)-2-thiophen-2-ylbenzimidazole
CID 830206
N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]formamide
CID 2992201
2-[2-(2-phenylethyl)benzimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 17031686

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-3-thiophen-2-ylquinoxalin-2-one?
The IUPAC name of 1-(2-phenylethyl)-3-thiophen-2-ylquinoxalin-2-one (CID 4789379) is 1-(2-phenylethyl)-3-thiophen-2-ylquinoxalin-2-one.
What is the SMILES notation for 1-(2-phenylethyl)-3-thiophen-2-ylquinoxalin-2-one?
The canonical SMILES for 1-(2-phenylethyl)-3-thiophen-2-ylquinoxalin-2-one is O=c1c(-c2cccs2)nc2ccccc2n1CCc1ccccc1.
What is the InChIKey of 1-(2-phenylethyl)-3-thiophen-2-ylquinoxalin-2-one?
The InChIKey is UUTHQSFUJWGIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS/c23-20-19(18-11-6-14-24-18)21-16-9-4-5-10-17(16)22(20)13-12-15-7-2-1-3-8-15/h1-11,14H,12-13H2.
What are the key properties of 1-(2-phenylethyl)-3-thiophen-2-ylquinoxalin-2-one?
1-(2-phenylethyl)-3-thiophen-2-ylquinoxalin-2-one has a molecular weight of 332.43 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-3-thiophen-2-ylquinoxalin-2-one is sourced from PubChem (CID 4789379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).