6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile

C17H20N2S — CID 11847748

IUPAC6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile
SMILESCCC(C)(C)C1CCc2nc3sc(C#N)cc3cc2C1
InChIInChI=1S/C17H20N2S/c1-4-17(2,3)13-5-6-15-11(8-13)7-12-9-14(10-18)20-16(12)19-15/h7,9,13H,4-6,8H2,1-3H3
InChIKeyAECIDHVCXXJDPJ-UHFFFAOYSA-N
MW284.43 g/mol
LogP4.71
Rot. Bonds2

About 6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile

6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile (PubChem CID 11847748) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile.

Molecular Properties

Compound Name6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile
PubChem CID11847748
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC Name6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile
SMILESCCC(C)(C)C1CCc2nc3sc(C#N)cc3cc2C1
InChIInChI=1S/C17H20N2S/c1-4-17(2,3)13-5-6-15-11(8-13)7-12-9-14(10-18)20-16(12)19-15/h7,9,13H,4-6,8H2,1-3H3
InChIKeyAECIDHVCXXJDPJ-UHFFFAOYSA-N
XLogP4.71
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile?
The IUPAC name of 6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile (CID 11847748) is 6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile.
What is the SMILES notation for 6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile?
The canonical SMILES for 6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile is CCC(C)(C)C1CCc2nc3sc(C#N)cc3cc2C1.
What is the InChIKey of 6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile?
The InChIKey is AECIDHVCXXJDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-4-17(2,3)13-5-6-15-11(8-13)7-12-9-14(10-18)20-16(12)19-15/h7,9,13H,4-6,8H2,1-3H3.
What are the key properties of 6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile?
6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile has a molecular weight of 284.43 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile is sourced from PubChem (CID 11847748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).