7,8-dihydrothieno[2,3-b]quinoline-2-carbonitrile

C12H8N2S — CID 177296656

IUPAC7,8-dihydrothieno[2,3-b]quinoline-2-carbonitrile
SMILESN#Cc1cc2cc3c(nc2s1)CCC=C3
InChIInChI=1S/C12H8N2S/c13-7-10-6-9-5-8-3-1-2-4-11(8)14-12(9)15-10/h1,3,5-6H,2,4H2
InChIKeyGYFSWPGWNQGIKJ-UHFFFAOYSA-N
MW212.28 g/mol
LogP3.13
Rot. Bonds

About 7,8-dihydrothieno[2,3-b]quinoline-2-carbonitrile

7,8-dihydrothieno[2,3-b]quinoline-2-carbonitrile (PubChem CID 177296656) has the molecular formula C12H8N2S and a molecular weight of 212.28 g/mol. Its IUPAC name is 7,8-dihydrothieno[2,3-b]quinoline-2-carbonitrile.

Molecular Properties

Compound Name7,8-dihydrothieno[2,3-b]quinoline-2-carbonitrile
PubChem CID177296656
Molecular FormulaC12H8N2S
Molecular Weight212.28 g/mol
Exact Mass212.04
IUPAC Name7,8-dihydrothieno[2,3-b]quinoline-2-carbonitrile
SMILESN#Cc1cc2cc3c(nc2s1)CCC=C3
InChIInChI=1S/C12H8N2S/c13-7-10-6-9-5-8-3-1-2-4-11(8)14-12(9)15-10/h1,3,5-6H,2,4H2
InChIKeyGYFSWPGWNQGIKJ-UHFFFAOYSA-N
XLogP3.13
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,8-dihydrothieno[2,3-b]quinoline-2-carbonitrile?
The IUPAC name of 7,8-dihydrothieno[2,3-b]quinoline-2-carbonitrile (CID 177296656) is 7,8-dihydrothieno[2,3-b]quinoline-2-carbonitrile.
What is the SMILES notation for 7,8-dihydrothieno[2,3-b]quinoline-2-carbonitrile?
The canonical SMILES for 7,8-dihydrothieno[2,3-b]quinoline-2-carbonitrile is N#Cc1cc2cc3c(nc2s1)CCC=C3.
What is the InChIKey of 7,8-dihydrothieno[2,3-b]quinoline-2-carbonitrile?
The InChIKey is GYFSWPGWNQGIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2S/c13-7-10-6-9-5-8-3-1-2-4-11(8)14-12(9)15-10/h1,3,5-6H,2,4H2.
What are the key properties of 7,8-dihydrothieno[2,3-b]quinoline-2-carbonitrile?
7,8-dihydrothieno[2,3-b]quinoline-2-carbonitrile has a molecular weight of 212.28 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydrothieno[2,3-b]quinoline-2-carbonitrile is sourced from PubChem (CID 177296656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).