6-tert-butylthieno[2,3-b]quinoline-2-carboxamide

C16H16N2OS — CID 11854062

IUPAC6-tert-butylthieno[2,3-b]quinoline-2-carboxamide
SMILESCC(C)(C)c1ccc2nc3sc(C(N)=O)cc3cc2c1
InChIInChI=1S/C16H16N2OS/c1-16(2,3)11-4-5-12-9(7-11)6-10-8-13(14(17)19)20-15(10)18-12/h4-8H,1-3H3,(H2,17,19)
InChIKeyNAUHWDZQDFQSRY-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.85
Rot. Bonds1

About 6-tert-butylthieno[2,3-b]quinoline-2-carboxamide

6-tert-butylthieno[2,3-b]quinoline-2-carboxamide (PubChem CID 11854062) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 6-tert-butylthieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name6-tert-butylthieno[2,3-b]quinoline-2-carboxamide
PubChem CID11854062
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name6-tert-butylthieno[2,3-b]quinoline-2-carboxamide
SMILESCC(C)(C)c1ccc2nc3sc(C(N)=O)cc3cc2c1
InChIInChI=1S/C16H16N2OS/c1-16(2,3)11-4-5-12-9(7-11)6-10-8-13(14(17)19)20-15(10)18-12/h4-8H,1-3H3,(H2,17,19)
InChIKeyNAUHWDZQDFQSRY-UHFFFAOYSA-N
XLogP3.85
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butylthieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 6-tert-butylthieno[2,3-b]quinoline-2-carboxamide (CID 11854062) is 6-tert-butylthieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 6-tert-butylthieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 6-tert-butylthieno[2,3-b]quinoline-2-carboxamide is CC(C)(C)c1ccc2nc3sc(C(N)=O)cc3cc2c1.
What is the InChIKey of 6-tert-butylthieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is NAUHWDZQDFQSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-16(2,3)11-4-5-12-9(7-11)6-10-8-13(14(17)19)20-15(10)18-12/h4-8H,1-3H3,(H2,17,19).
What are the key properties of 6-tert-butylthieno[2,3-b]quinoline-2-carboxamide?
6-tert-butylthieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylthieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 11854062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).