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

C16H19NOS — CID 89208082

IUPAC6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbaldehyde
SMILESCC(C)(C)C1CCc2nc3sc(C=O)cc3cc2C1
InChIInChI=1S/C16H19NOS/c1-16(2,3)12-4-5-14-10(7-12)6-11-8-13(9-18)19-15(11)17-14/h6,8-9,12H,4-5,7H2,1-3H3
InChIKeySPDMSOQRJOEOIS-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.26
Rot. Bonds1

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

6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbaldehyde (PubChem CID 89208082) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbaldehyde.

Molecular Properties

Compound Name6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbaldehyde
PubChem CID89208082
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbaldehyde
SMILESCC(C)(C)C1CCc2nc3sc(C=O)cc3cc2C1
InChIInChI=1S/C16H19NOS/c1-16(2,3)12-4-5-14-10(7-12)6-11-8-13(9-18)19-15(11)17-14/h6,8-9,12H,4-5,7H2,1-3H3
InChIKeySPDMSOQRJOEOIS-UHFFFAOYSA-N
XLogP4.26
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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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-carbaldehyde?
The IUPAC name of 6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbaldehyde (CID 89208082) is 6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbaldehyde.
What is the SMILES notation for 6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbaldehyde?
The canonical SMILES for 6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbaldehyde is CC(C)(C)C1CCc2nc3sc(C=O)cc3cc2C1.
What is the InChIKey of 6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbaldehyde?
The InChIKey is SPDMSOQRJOEOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-16(2,3)12-4-5-14-10(7-12)6-11-8-13(9-18)19-15(11)17-14/h6,8-9,12H,4-5,7H2,1-3H3.
What are the key properties of 6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbaldehyde?
6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbaldehyde has a molecular weight of 273.40 g/mol, XLogP of 4.26, 1 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-carbaldehyde is sourced from PubChem (CID 89208082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).