2-(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)acetonitrile

C17H20N2S — CID 58749658

IUPAC2-(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)acetonitrile
SMILESCC(C)(C)C1CCc2nc3sc(CC#N)cc3cc2C1
InChIInChI=1S/C17H20N2S/c1-17(2,3)13-4-5-15-11(9-13)8-12-10-14(6-7-18)20-16(12)19-15/h8,10,13H,4-6,9H2,1-3H3
InChIKeyIYBYDXFULVUIAH-UHFFFAOYSA-N
MW284.43 g/mol
LogP4.51
Rot. Bonds1

About 2-(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)acetonitrile

2-(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)acetonitrile (PubChem CID 58749658) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 2-(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)acetonitrile
PubChem CID58749658
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC Name2-(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)acetonitrile
SMILESCC(C)(C)C1CCc2nc3sc(CC#N)cc3cc2C1
InChIInChI=1S/C17H20N2S/c1-17(2,3)13-4-5-15-11(9-13)8-12-10-14(6-7-18)20-16(12)19-15/h8,10,13H,4-6,9H2,1-3H3
InChIKeyIYBYDXFULVUIAH-UHFFFAOYSA-N
XLogP4.51
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)acetonitrile?
The IUPAC name of 2-(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)acetonitrile (CID 58749658) is 2-(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)acetonitrile.
What is the SMILES notation for 2-(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)acetonitrile?
The canonical SMILES for 2-(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)acetonitrile is CC(C)(C)C1CCc2nc3sc(CC#N)cc3cc2C1.
What is the InChIKey of 2-(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)acetonitrile?
The InChIKey is IYBYDXFULVUIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-17(2,3)13-4-5-15-11(9-13)8-12-10-14(6-7-18)20-16(12)19-15/h8,10,13H,4-6,9H2,1-3H3.
What are the key properties of 2-(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)acetonitrile?
2-(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)acetonitrile has a molecular weight of 284.43 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)acetonitrile is sourced from PubChem (CID 58749658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).