6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile

C16H18N2S — CID 11847749

IUPAC6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile
SMILESCC(C)(C)C1CCc2nc3sc(C#N)cc3cc2C1
InChIInChI=1S/C16H18N2S/c1-16(2,3)12-4-5-14-10(7-12)6-11-8-13(9-17)19-15(11)18-14/h6,8,12H,4-5,7H2,1-3H3
InChIKeyRVADNSPRUAJDNW-UHFFFAOYSA-N
MW270.40 g/mol
LogP4.32
Rot. Bonds

About 6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile

6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile (PubChem CID 11847749) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile.

Molecular Properties

Compound Name6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile
PubChem CID11847749
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC Name6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile
SMILESCC(C)(C)C1CCc2nc3sc(C#N)cc3cc2C1
InChIInChI=1S/C16H18N2S/c1-16(2,3)12-4-5-14-10(7-12)6-11-8-13(9-17)19-15(11)18-14/h6,8,12H,4-5,7H2,1-3H3
InChIKeyRVADNSPRUAJDNW-UHFFFAOYSA-N
XLogP4.32
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile?
The IUPAC name of 6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile (CID 11847749) is 6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile.
What is the SMILES notation for 6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile?
The canonical SMILES for 6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile is CC(C)(C)C1CCc2nc3sc(C#N)cc3cc2C1.
What is the InChIKey of 6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile?
The InChIKey is RVADNSPRUAJDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c1-16(2,3)12-4-5-14-10(7-12)6-11-8-13(9-17)19-15(11)18-14/h6,8,12H,4-5,7H2,1-3H3.
What are the key properties of 6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile?
6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile has a molecular weight of 270.40 g/mol, XLogP of 4.32, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile is sourced from PubChem (CID 11847749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).