4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,3-dihydro-1H-quinoxaline

C17H18N2S — CID 79227718

IUPAC4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,3-dihydro-1H-quinoxaline
SMILESc1ccc2c(c1)CC(CN1CCNc3ccccc31)S2
InChIInChI=1S/C17H18N2S/c1-4-8-17-13(5-1)11-14(20-17)12-19-10-9-18-15-6-2-3-7-16(15)19/h1-8,14,18H,9-12H2
InChIKeyQHXMIZNPCZSPAN-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.64
Rot. Bonds2

About 4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,3-dihydro-1H-quinoxaline

4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,3-dihydro-1H-quinoxaline (PubChem CID 79227718) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,3-dihydro-1H-quinoxaline
PubChem CID79227718
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,3-dihydro-1H-quinoxaline
SMILESc1ccc2c(c1)CC(CN1CCNc3ccccc31)S2
InChIInChI=1S/C17H18N2S/c1-4-8-17-13(5-1)11-14(20-17)12-19-10-9-18-15-6-2-3-7-16(15)19/h1-8,14,18H,9-12H2
InChIKeyQHXMIZNPCZSPAN-UHFFFAOYSA-N
XLogP3.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,3-dihydro-1H-quinoxaline (CID 79227718) is 4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,3-dihydro-1H-quinoxaline is c1ccc2c(c1)CC(CN1CCNc3ccccc31)S2.
What is the InChIKey of 4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,3-dihydro-1H-quinoxaline?
The InChIKey is QHXMIZNPCZSPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-4-8-17-13(5-1)11-14(20-17)12-19-10-9-18-15-6-2-3-7-16(15)19/h1-8,14,18H,9-12H2.
What are the key properties of 4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,3-dihydro-1H-quinoxaline?
4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,3-dihydro-1H-quinoxaline has a molecular weight of 282.41 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 79227718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).