6-tert-butyl-N-hydroxy-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid

C32H39N3O4S2 — CID 158244889

About 6-tert-butyl-N-hydroxy-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid

6-tert-butyl-N-hydroxy-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid (PubChem CID 158244889) has the molecular formula C32H39N3O4S2 and a molecular weight of 593.82 g/mol. Its IUPAC name is 6-tert-butyl-N-hydroxy-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid.

Molecular Properties

• Compound Name: 6-tert-butyl-N-hydroxy-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid
• PubChem CID: 158244889
• Molecular Formula: C32H39N3O4S2
• Molecular Weight: 593.82 g/mol
• Exact Mass: 593.24
• IUPAC Name: 6-tert-butyl-N-hydroxy-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid
• SMILES: CC(C)(C)C1CCc2nc3sc(C(=O)NO)cc3cc2C1.CC(C)(C)C1CCc2nc3sc(C(=O)O)cc3cc2C1
• InChI: InChI=1S/C16H20N2O2S.C16H19NO2S/c1-16(2,3)11-4-5-12-9(7-11)6-10-8-13(14(19)18-20)21-15(10)17-12;1-16(2,3)11-4-5-12-9(7-11)6-10-8-13(15(18)19)20-14(10)17-12/h6,8,11,20H,4-5,7H2,1-3H3,(H,18,19);6,8,11H,4-5,7H2,1-3H3,(H,18,19)
• InChIKey: GFZOQPDOPIIXTL-UHFFFAOYSA-N
• XLogP: 7.71
• TPSA: 112.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.82
LogP ≤ 5	7.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-hydroxy-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid?

The IUPAC name of 6-tert-butyl-N-hydroxy-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid (CID 158244889) is 6-tert-butyl-N-hydroxy-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid.

What is the SMILES notation for 6-tert-butyl-N-hydroxy-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid?

The canonical SMILES for 6-tert-butyl-N-hydroxy-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid is CC(C)(C)C1CCc2nc3sc(C(=O)NO)cc3cc2C1.CC(C)(C)C1CCc2nc3sc(C(=O)O)cc3cc2C1.

What is the InChIKey of 6-tert-butyl-N-hydroxy-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid?

The InChIKey is GFZOQPDOPIIXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S.C16H19NO2S/c1-16(2,3)11-4-5-12-9(7-11)6-10-8-13(14(19)18-20)21-15(10)17-12;1-16(2,3)11-4-5-12-9(7-11)6-10-8-13(15(18)19)20-14(10)17-12/h6,8,11,20H,4-5,7H2,1-3H3,(H,18,19);6,8,11H,4-5,7H2,1-3H3,(H,18,19).

What are the key properties of 6-tert-butyl-N-hydroxy-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid?

6-tert-butyl-N-hydroxy-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid has a molecular weight of 593.82 g/mol, XLogP of 7.71, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-N-hydroxy-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid is sourced from PubChem (CID 158244889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).