1-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone

C18H16ClN3O2S — CID 126778184

IUPAC1-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone
SMILESCN1CCN(C(=O)Cc2coc(-c3cccs3)n2)c2cc(Cl)ccc21
InChIInChI=1S/C18H16ClN3O2S/c1-21-6-7-22(15-9-12(19)4-5-14(15)21)17(23)10-13-11-24-18(20-13)16-3-2-8-25-16/h2-5,8-9,11H,6-7,10H2,1H3
InChIKeyAVUAIMSIDHTHOE-UHFFFAOYSA-N
MW373.87 g/mol
LogP4.08
Rot. Bonds3

About 1-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone

1-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone (PubChem CID 126778184) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is 1-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone
PubChem CID126778184
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC Name1-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone
SMILESCN1CCN(C(=O)Cc2coc(-c3cccs3)n2)c2cc(Cl)ccc21
InChIInChI=1S/C18H16ClN3O2S/c1-21-6-7-22(15-9-12(19)4-5-14(15)21)17(23)10-13-11-24-18(20-13)16-3-2-8-25-16/h2-5,8-9,11H,6-7,10H2,1H3
InChIKeyAVUAIMSIDHTHOE-UHFFFAOYSA-N
XLogP4.08
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone?
The IUPAC name of 1-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone (CID 126778184) is 1-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone.
What is the SMILES notation for 1-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone?
The canonical SMILES for 1-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone is CN1CCN(C(=O)Cc2coc(-c3cccs3)n2)c2cc(Cl)ccc21.
What is the InChIKey of 1-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone?
The InChIKey is AVUAIMSIDHTHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c1-21-6-7-22(15-9-12(19)4-5-14(15)21)17(23)10-13-11-24-18(20-13)16-3-2-8-25-16/h2-5,8-9,11H,6-7,10H2,1H3.
What are the key properties of 1-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone?
1-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone has a molecular weight of 373.87 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone is sourced from PubChem (CID 126778184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).