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

C16H18N2S — CID 69368321

IUPAC4-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile
SMILESCCCCc1c2c(nc3sc(C#N)cc13)CCCC2
InChIInChI=1S/C16H18N2S/c1-2-3-6-12-13-7-4-5-8-15(13)18-16-14(12)9-11(10-17)19-16/h9H,2-8H2,1H3
InChIKeyRYUDDRCEEDOEGJ-UHFFFAOYSA-N
MW270.40 g/mol
LogP4.39
Rot. Bonds3

About 4-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile

4-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile (PubChem CID 69368321) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 4-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile.

Molecular Properties

Compound Name4-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile
PubChem CID69368321
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC Name4-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile
SMILESCCCCc1c2c(nc3sc(C#N)cc13)CCCC2
InChIInChI=1S/C16H18N2S/c1-2-3-6-12-13-7-4-5-8-15(13)18-16-14(12)9-11(10-17)19-16/h9H,2-8H2,1H3
InChIKeyRYUDDRCEEDOEGJ-UHFFFAOYSA-N
XLogP4.39
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile?
The IUPAC name of 4-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile (CID 69368321) is 4-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile.
What is the SMILES notation for 4-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile?
The canonical SMILES for 4-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile is CCCCc1c2c(nc3sc(C#N)cc13)CCCC2.
What is the InChIKey of 4-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile?
The InChIKey is RYUDDRCEEDOEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c1-2-3-6-12-13-7-4-5-8-15(13)18-16-14(12)9-11(10-17)19-16/h9H,2-8H2,1H3.
What are the key properties of 4-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile?
4-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile has a molecular weight of 270.40 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile is sourced from PubChem (CID 69368321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).