(6R)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid

C16H19NO2S — CID 69152451

IUPAC(6R)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid
SMILESCC(C)(C)[C@@H]1CCc2nc3sc(C(=O)O)cc3cc2C1
InChIInChI=1S/C16H19NO2S/c1-16(2,3)11-4-5-12-9(7-11)6-10-8-13(15(18)19)20-14(10)17-12/h6,8,11H,4-5,7H2,1-3H3,(H,18,19)/t11-/m1/s1
InChIKeyXMSYACVCBQLYIU-LLVKDONJSA-N
MW289.40 g/mol
LogP4.15
Rot. Bonds1

About (6R)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid

(6R)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid (PubChem CID 69152451) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is (6R)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid.

Molecular Properties

Compound Name(6R)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid
PubChem CID69152451
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name(6R)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid
SMILESCC(C)(C)[C@@H]1CCc2nc3sc(C(=O)O)cc3cc2C1
InChIInChI=1S/C16H19NO2S/c1-16(2,3)11-4-5-12-9(7-11)6-10-8-13(15(18)19)20-14(10)17-12/h6,8,11H,4-5,7H2,1-3H3,(H,18,19)/t11-/m1/s1
InChIKeyXMSYACVCBQLYIU-LLVKDONJSA-N
XLogP4.15
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid?
The IUPAC name of (6R)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid (CID 69152451) is (6R)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid.
What is the SMILES notation for (6R)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid?
The canonical SMILES for (6R)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid is CC(C)(C)[C@@H]1CCc2nc3sc(C(=O)O)cc3cc2C1.
What is the InChIKey of (6R)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid?
The InChIKey is XMSYACVCBQLYIU-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-16(2,3)11-4-5-12-9(7-11)6-10-8-13(15(18)19)20-14(10)17-12/h6,8,11H,4-5,7H2,1-3H3,(H,18,19)/t11-/m1/s1.
What are the key properties of (6R)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid?
(6R)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid has a molecular weight of 289.40 g/mol, XLogP of 4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid is sourced from PubChem (CID 69152451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).