2-(2-methyl-2,3-dihydrothiophen-5-yl)-3-[(2-methylpropan-2-yl)oxy]quinoxaline

C17H20N2OS — CID 71133448

IUPAC2-(2-methyl-2,3-dihydrothiophen-5-yl)-3-[(2-methylpropan-2-yl)oxy]quinoxaline
SMILESCC1CC=C(c2nc3ccccc3nc2OC(C)(C)C)S1
InChIInChI=1S/C17H20N2OS/c1-11-9-10-14(21-11)15-16(20-17(2,3)4)19-13-8-6-5-7-12(13)18-15/h5-8,10-11H,9H2,1-4H3
InChIKeyNJNZSCGBNYPZRU-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.67
Rot. Bonds2

About 2-(2-methyl-2,3-dihydrothiophen-5-yl)-3-[(2-methylpropan-2-yl)oxy]quinoxaline

2-(2-methyl-2,3-dihydrothiophen-5-yl)-3-[(2-methylpropan-2-yl)oxy]quinoxaline (PubChem CID 71133448) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-(2-methyl-2,3-dihydrothiophen-5-yl)-3-[(2-methylpropan-2-yl)oxy]quinoxaline.

Molecular Properties

Compound Name2-(2-methyl-2,3-dihydrothiophen-5-yl)-3-[(2-methylpropan-2-yl)oxy]quinoxaline
PubChem CID71133448
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name2-(2-methyl-2,3-dihydrothiophen-5-yl)-3-[(2-methylpropan-2-yl)oxy]quinoxaline
SMILESCC1CC=C(c2nc3ccccc3nc2OC(C)(C)C)S1
InChIInChI=1S/C17H20N2OS/c1-11-9-10-14(21-11)15-16(20-17(2,3)4)19-13-8-6-5-7-12(13)18-15/h5-8,10-11H,9H2,1-4H3
InChIKeyNJNZSCGBNYPZRU-UHFFFAOYSA-N
XLogP4.67
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2,3-dihydrothiophen-5-yl)-3-[(2-methylpropan-2-yl)oxy]quinoxaline?
The IUPAC name of 2-(2-methyl-2,3-dihydrothiophen-5-yl)-3-[(2-methylpropan-2-yl)oxy]quinoxaline (CID 71133448) is 2-(2-methyl-2,3-dihydrothiophen-5-yl)-3-[(2-methylpropan-2-yl)oxy]quinoxaline.
What is the SMILES notation for 2-(2-methyl-2,3-dihydrothiophen-5-yl)-3-[(2-methylpropan-2-yl)oxy]quinoxaline?
The canonical SMILES for 2-(2-methyl-2,3-dihydrothiophen-5-yl)-3-[(2-methylpropan-2-yl)oxy]quinoxaline is CC1CC=C(c2nc3ccccc3nc2OC(C)(C)C)S1.
What is the InChIKey of 2-(2-methyl-2,3-dihydrothiophen-5-yl)-3-[(2-methylpropan-2-yl)oxy]quinoxaline?
The InChIKey is NJNZSCGBNYPZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-11-9-10-14(21-11)15-16(20-17(2,3)4)19-13-8-6-5-7-12(13)18-15/h5-8,10-11H,9H2,1-4H3.
What are the key properties of 2-(2-methyl-2,3-dihydrothiophen-5-yl)-3-[(2-methylpropan-2-yl)oxy]quinoxaline?
2-(2-methyl-2,3-dihydrothiophen-5-yl)-3-[(2-methylpropan-2-yl)oxy]quinoxaline has a molecular weight of 300.43 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2,3-dihydrothiophen-5-yl)-3-[(2-methylpropan-2-yl)oxy]quinoxaline is sourced from PubChem (CID 71133448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).