6-bromo-9-[4-[1-(dimethylamino)-2-methylpropan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one

C23H23BrN2O2S — CID 67451088

About 6-bromo-9-[4-[1-(dimethylamino)-2-methylpropan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one

6-bromo-9-[4-[1-(dimethylamino)-2-methylpropan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 67451088) has the molecular formula C23H23BrN2O2S and a molecular weight of 471.42 g/mol. Its IUPAC name is 6-bromo-9-[4-[1-(dimethylamino)-2-methylpropan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

• Compound Name: 6-bromo-9-[4-[1-(dimethylamino)-2-methylpropan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
• PubChem CID: 67451088
• Molecular Formula: C23H23BrN2O2S
• Molecular Weight: 471.42 g/mol
• Exact Mass: 470.07
• IUPAC Name: 6-bromo-9-[4-[1-(dimethylamino)-2-methylpropan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
• SMILES: CN(C)CC(C)(C)c1ccc(-c2c(O)cc(Br)c3[nH]c(=O)c4sccc4c23)cc1
• InChI: InChI=1S/C23H23BrN2O2S/c1-23(2,12-26(3)4)14-7-5-13(6-8-14)18-17(27)11-16(24)20-19(18)15-9-10-29-21(15)22(28)25-20/h5-11,27H,12H2,1-4H3,(H,25,28)
• InChIKey: JJICYWJJYCTOHT-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 56.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.42
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-bromo-9-[4-[1-(dimethylamino)-2-methylpropan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?

The IUPAC name of 6-bromo-9-[4-[1-(dimethylamino)-2-methylpropan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one (CID 67451088) is 6-bromo-9-[4-[1-(dimethylamino)-2-methylpropan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one.

What is the SMILES notation for 6-bromo-9-[4-[1-(dimethylamino)-2-methylpropan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?

The canonical SMILES for 6-bromo-9-[4-[1-(dimethylamino)-2-methylpropan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one is CN(C)CC(C)(C)c1ccc(-c2c(O)cc(Br)c3[nH]c(=O)c4sccc4c23)cc1.

What is the InChIKey of 6-bromo-9-[4-[1-(dimethylamino)-2-methylpropan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?

The InChIKey is JJICYWJJYCTOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN2O2S/c1-23(2,12-26(3)4)14-7-5-13(6-8-14)18-17(27)11-16(24)20-19(18)15-9-10-29-21(15)22(28)25-20/h5-11,27H,12H2,1-4H3,(H,25,28).

What are the key properties of 6-bromo-9-[4-[1-(dimethylamino)-2-methylpropan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?

6-bromo-9-[4-[1-(dimethylamino)-2-methylpropan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 471.42 g/mol, XLogP of 5.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-9-[4-[1-(dimethylamino)-2-methylpropan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 67451088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).