N-[2-[2-fluoro-3-(8-methoxy-6-methyl-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]propyl]methanesulfonamide

C23H23FN2O4S2 — CID 140679004

About N-[2-[2-fluoro-3-(8-methoxy-6-methyl-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]propyl]methanesulfonamide

N-[2-[2-fluoro-3-(8-methoxy-6-methyl-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]propyl]methanesulfonamide (PubChem CID 140679004) has the molecular formula C23H23FN2O4S2 and a molecular weight of 474.58 g/mol. Its IUPAC name is N-[2-[2-fluoro-3-(8-methoxy-6-methyl-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]propyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[2-fluoro-3-(8-methoxy-6-methyl-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]propyl]methanesulfonamide
• PubChem CID: 140679004
• Molecular Formula: C23H23FN2O4S2
• Molecular Weight: 474.58 g/mol
• Exact Mass: 474.11
• IUPAC Name: N-[2-[2-fluoro-3-(8-methoxy-6-methyl-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]propyl]methanesulfonamide
• SMILES: COc1cc(C)c2[nH]c(=O)c3sccc3c2c1-c1cccc(C(C)CNS(C)(=O)=O)c1F
• InChI: InChI=1S/C23H23FN2O4S2/c1-12-10-17(30-3)18(19-16-8-9-31-22(16)23(27)26-21(12)19)15-7-5-6-14(20(15)24)13(2)11-25-32(4,28)29/h5-10,13,25H,11H2,1-4H3,(H,26,27)
• InChIKey: PLFUZTQNEABVDF-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 88.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.58
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-fluoro-3-(8-methoxy-6-methyl-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]propyl]methanesulfonamide?

The IUPAC name of N-[2-[2-fluoro-3-(8-methoxy-6-methyl-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]propyl]methanesulfonamide (CID 140679004) is N-[2-[2-fluoro-3-(8-methoxy-6-methyl-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]propyl]methanesulfonamide.

What is the SMILES notation for N-[2-[2-fluoro-3-(8-methoxy-6-methyl-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]propyl]methanesulfonamide?

The canonical SMILES for N-[2-[2-fluoro-3-(8-methoxy-6-methyl-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]propyl]methanesulfonamide is COc1cc(C)c2[nH]c(=O)c3sccc3c2c1-c1cccc(C(C)CNS(C)(=O)=O)c1F.

What is the InChIKey of N-[2-[2-fluoro-3-(8-methoxy-6-methyl-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]propyl]methanesulfonamide?

The InChIKey is PLFUZTQNEABVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O4S2/c1-12-10-17(30-3)18(19-16-8-9-31-22(16)23(27)26-21(12)19)15-7-5-6-14(20(15)24)13(2)11-25-32(4,28)29/h5-10,13,25H,11H2,1-4H3,(H,26,27).

What are the key properties of N-[2-[2-fluoro-3-(8-methoxy-6-methyl-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]propyl]methanesulfonamide?

N-[2-[2-fluoro-3-(8-methoxy-6-methyl-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]propyl]methanesulfonamide has a molecular weight of 474.58 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-fluoro-3-(8-methoxy-6-methyl-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]propyl]methanesulfonamide is sourced from PubChem (CID 140679004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).