2-[(2-methylpropan-2-yl)oxy]-3-thiophen-2-ylquinoxaline

C16H16N2OS — CID 58801159

IUPAC2-[(2-methylpropan-2-yl)oxy]-3-thiophen-2-ylquinoxaline
SMILESCC(C)(C)Oc1nc2ccccc2nc1-c1cccs1
InChIInChI=1S/C16H16N2OS/c1-16(2,3)19-15-14(13-9-6-10-20-13)17-11-7-4-5-8-12(11)18-15/h4-10H,1-3H3
InChIKeySDXJTFXHGSDQPD-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.54
Rot. Bonds2

About 2-[(2-methylpropan-2-yl)oxy]-3-thiophen-2-ylquinoxaline

2-[(2-methylpropan-2-yl)oxy]-3-thiophen-2-ylquinoxaline (PubChem CID 58801159) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-3-thiophen-2-ylquinoxaline.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-3-thiophen-2-ylquinoxaline
PubChem CID58801159
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-3-thiophen-2-ylquinoxaline
SMILESCC(C)(C)Oc1nc2ccccc2nc1-c1cccs1
InChIInChI=1S/C16H16N2OS/c1-16(2,3)19-15-14(13-9-6-10-20-13)17-11-7-4-5-8-12(11)18-15/h4-10H,1-3H3
InChIKeySDXJTFXHGSDQPD-UHFFFAOYSA-N
XLogP4.54
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-3-thiophen-2-ylquinoxaline?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-3-thiophen-2-ylquinoxaline (CID 58801159) is 2-[(2-methylpropan-2-yl)oxy]-3-thiophen-2-ylquinoxaline.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-3-thiophen-2-ylquinoxaline?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-3-thiophen-2-ylquinoxaline is CC(C)(C)Oc1nc2ccccc2nc1-c1cccs1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-3-thiophen-2-ylquinoxaline?
The InChIKey is SDXJTFXHGSDQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-16(2,3)19-15-14(13-9-6-10-20-13)17-11-7-4-5-8-12(11)18-15/h4-10H,1-3H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-3-thiophen-2-ylquinoxaline?
2-[(2-methylpropan-2-yl)oxy]-3-thiophen-2-ylquinoxaline has a molecular weight of 284.38 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-3-thiophen-2-ylquinoxaline is sourced from PubChem (CID 58801159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).