2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxaline

C16H12N2S — CID 70830056

IUPAC2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxaline
SMILESc1csc(-c2cnc3c(n2)-c2ccccc2CC3)c1
InChIInChI=1S/C16H12N2S/c1-2-5-12-11(4-1)7-8-13-16(12)18-14(10-17-13)15-6-3-9-19-15/h1-6,9-10H,7-8H2
InChIKeyLGBSNFZTFOWTHU-UHFFFAOYSA-N
MW264.35 g/mol
LogP3.97
Rot. Bonds1

About 2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxaline

2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxaline (PubChem CID 70830056) has the molecular formula C16H12N2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxaline.

Molecular Properties

Compound Name2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxaline
PubChem CID70830056
Molecular FormulaC16H12N2S
Molecular Weight264.35 g/mol
Exact Mass264.07
IUPAC Name2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxaline
SMILESc1csc(-c2cnc3c(n2)-c2ccccc2CC3)c1
InChIInChI=1S/C16H12N2S/c1-2-5-12-11(4-1)7-8-13-16(12)18-14(10-17-13)15-6-3-9-19-15/h1-6,9-10H,7-8H2
InChIKeyLGBSNFZTFOWTHU-UHFFFAOYSA-N
XLogP3.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxaline?
The IUPAC name of 2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxaline (CID 70830056) is 2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxaline.
What is the SMILES notation for 2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxaline?
The canonical SMILES for 2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxaline is c1csc(-c2cnc3c(n2)-c2ccccc2CC3)c1.
What is the InChIKey of 2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxaline?
The InChIKey is LGBSNFZTFOWTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2S/c1-2-5-12-11(4-1)7-8-13-16(12)18-14(10-17-13)15-6-3-9-19-15/h1-6,9-10H,7-8H2.
What are the key properties of 2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxaline?
2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxaline has a molecular weight of 264.35 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-5,6-dihydrobenzo[f]quinoxaline is sourced from PubChem (CID 70830056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).